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Bergische Universität Wuppertal
Fakultät für Mathematik und Naturwissenschaften
Physikalische  & Theoretische Chemie
Lehrgebiet Theoretische Chemie


Prof. Per Jensen, Ph.D.
Raum V.08.084
Gaußstr. 20
42119 Wuppertal

Telefon: +49 (0)202 439-2468
Fax: +49 (0)202 439-2505
Email: jensen{at}uni-wuppertal.de

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Prof. Ph.D. Per Jensen - Veröffentlichungen / Publications

Books / Bücher

P. R. Bunker and Per Jensen: "Fundamentals of Molecular Symmetry," IOP Publishing, Bristol, 2004 (ISBN 0-7503-0941-5).

P. R. Bunker and Per Jensen: "Molecular Symmetry and Spectroscopy, 2nd Edition," NRC Research Press, Ottawa, 1998 (ISBN 0-660-17519-3).
Russian translation by Drs. Yurii N. Panchenko, Sergei V. Petrov, Vladimir I. Pupyshev, Andrei V. Scherbinin, and Prof. Nikolai F. Stepanov (editor), MIR, Moscow, 2004.
Indian edition (2005). Contact overseas@del3.vsnl.net.in for information.

Books edited / Mitherausgeberschaft von Büchern

 "Computational Molecular Spectroscopy" (Per Jensen and P. R. Bunker, Eds.), Wiley, Chichester, 2000 (ISBN 0-471-48998-0).

 

Book contributions / Buchbeiträge

10. K. M. T. Yamada, Per Jensen, and N. Ohashi: Fundamentals of Spectroscopy for Astrophysics, in: "Interstellar Molecules," Springer Tracts in Modern Physics, Vol. 241 (K. M. T. Yamada, G. Winnewisser, Eds.), Springer-Verlag Berlin Heidelberg, 2011 (ISBN 978-3-642-16267-1).

9. P. R. Bunker and Per Jensen: Spectroscopy and Broken Symmetry, in: "Frontiers of Molecular Spectroscopy," (J. Laane, Ed.), Elsevier, Amsterdam, 2008.

8. S. N. Yurchenko, J. Zheng, W. Thiel, M. Carvajal, H. Lin, and Per Jensen: Theoretical Quantitative Spectroscopy: Computer Simulation of Molecular Spectra, in: "Remote Sensing of the Atmosphere for Environmental Security" (Proceedings of the NATO Advanced Research Workshop in Rabat, Morocco, 16-19 November 2005, Edited by A. Perrin, N. Ben Sari Zizi, and J. Demaison; ISBN 1-4020-5089-5), Springer, Dordrecht, 2006.

7. P. R. Bunker and Per Jensen: Symmetry and Broken Symmetry in Molecules, Sample Chapter for  Chemical Sciences, Engineering and Technology Resourcesin: "Encyclopedia of Life Support Systems (EOLSS)," (J. Lagowski, Editor), Developed under the Auspices of the UNESCO, Eolss Publishers, Oxford, 2005 [http://www.eolss.net/Sample-Chapters/C06/E6-12A-02-06.pdf]

6. Per Jensen and P. R. Bunker: The Symmetry of Molecules, in: "Encyclopedia of Chemical Physics and Physical Chemistry" (J. H. Moore and N. D. Spencer, Eds.), IOP Publishing, Bristol, 2001.

5. P. R. Bunker and Per Jensen: The Born-Oppenheimer Approximation, in: "Computational Molecular Spectroscopy" (P. Jensen and P. R. Bunker, Eds.), Wiley, Chichester, 2000.

4. Per Jensen, G. Osmann, and P. R. Bunker: The Renner Effect, in: "Computational Molecular Spectroscopy" (P. Jensen and P. R. Bunker, Eds.), Wiley, Chichester, 2000.

3. Per Jensen, G. Osmann, and I. N. Kozin: The Formation of Four-fold Rovibrational Energy Clusters in H2S, H2Se, and H2Te, in: ``Advanced Series in Physical Chemistry: Vibration-Rotational Spectroscopy and Molecular Dynamics'' (D. Papoušek, Ed., ISBN 981-02-1635-1), vol. 9, pp. 298-351, World Scientific Publishing Company, Singapore, 1997.

2. Per Jensen: The MORBID Method, in: ``Molecules in the Stellar Environment'', Lecture Notes in Physics no. 428 (U. G. Jørgensen, Ed., ISBN 0-387-57747-5), Springer-Verlag, Berlin Heidelberg, 1994.

1. Per Jensen: Calculation of Molecular Rotation-Vibration Energies Directly from the Potential Energy Function, in: ``Methods in Computational Molecular Physics'' (Proceedings of NATO Advanced Study Institute, Bad Windsheim, Germany, 1991, Edited by S. Wilson and G.H.F. Diercksen, ISBN 0-306-44227-2), Plenum Press, New York, 1992.

Publications in peer-reviewed journals / Veröffentlichungen in Zeitschriften mit "Peer-Review"

223. P. R. Bunker, I. M. Mills, and Per Jensen: The Planck Constant and Its Units, J. Q. S. R. T., in press. DOI: 10.1016/j.jqsrt.2019.106594

222. Per Jensen: Linear and bent triatomic molecules are  not qualitatively different!, Can. J. Phys., in press. DOI: 10.1139/cjp-2019-0395.

221. T. G. Mellor, S. N. Yurchenko, B. Mant, and Per Jensen: Transformation Properties under the Operations of the Molecular Symmetry Groups G36  and G36(EM) of Ethane H3CCH3, Symmetry 11, 862/1-37 (2019).   DOI: 10.3390/sym11070862  Open access: Abstract here.  Download paper here.

220. A. Y. Adam,  Per Jensen, A. Yachmenev,  and S. N. Yurchenko: Non-resonant Raman spectra of the methyl radical 12CH3 simulated in variational calculations, J. Mol. Spectrosc. 362, 77-83 (2019).  DOI: 10.1016/j.jms.2019.06.005

219. T. Hirano, U. Nagashima, Per Jensen, and H. Li: Ro-vibrationally averaged dipole moments of linear triatomic molecules, J. Mol. Spectrosc. 362, 29-36 (2019).  DOI: 10.1016/j.jms.2019.05.005

218.  A. Y. Adam, A. Yachmenev, S. N. Yurchenko, and Per Jensen: A variationally computed IR line list for the methyl radical CH3, J. Phys. Chem. A 123, 4755-4763 (2019) DOI: 10.1021/acs.jpca.9b02919

217. G. Winterhoff, S. C. Galleguillos Kempf, Per Jensen, and P. R. Bunker: Empirical Potential Energy Surface and Bending Angle Probability Densities for the Electronic Ground State of HCO+, J. Mol. Spectrosc. 354, 71–82 (2018)  DOI: 10.1016/j.jms.2018.10.004

216. K. L. Chubb, Per Jensen, and S. N. Yurchenko: Symmetry Adaptation of the Rotation-Vibration Theory for Linear Molecules, Symmetry 10, 137/1-23 (2018). DOI: 10.3390/sym10050137  Open access: Abstract here.  Download paper here.

215. T. Hirano, U. Nagashima, and Per Jensen: Computational Molecular Spectroscopy of  X2Π NCS: Electronic properties and ro-vibrationally averaged structure, J. Mol. Spectrosc. 346, 4–12 (2018). DOI:   10.1016/j.jms.2017.12.011  

214. J. Freund, S. C. Galleguillos Kempf, Per Jensen, U. Nagashima, and T. Hirano: Computational Spectroscopy of NCS in the Renner-degenerate electronic state  X2Π, J. Mol. Spectrosc. 345, 31–38 (2018).  DOI:   10.1016/j.jms.2017.11.010

213. T. Hirano, U. Nagashima, and Per Jensen: Bending Wavefunctions for Linear Molecules,  J. Mol. Spectrosc. 343, 54–61 (2018). DOI: 10.1016/j.jms.2017.06.012

212. H. Schmiedt, Per Jensen, and S. Schlemmer: The role of angular momentum in the superrotor theory for rovibrational motion of extremely flexible molecules,  J. Mol. Spectrosc.  342, 132–137 (2017).  DOI:   10.1016/j.jms.2017.06.002

211. H. Schmiedt, Per Jensen, and S. Schlemmer: Rotation-vibration motion of extremely flexible molecules - The molecular superrotor,  Chem. Phys. Lett.  672, 34–46 (2017).  DOI:   10.1016/j.cplett.2017.01.045   "Frontiers article" prepared by invitation.

210. H. Schmiedt, S. Schlemmer, S. N. Yurchenko, A. Yachmenev, and Per Jensen: A semi-classical approach to the calculation of highly excited rotational energies for asymmetric-top molecules, Phys. Chem. Chem. Phys.  19, 1847–1856 (2017).  DOI:   10.1039/C6CP05589C   Open access - download here

209. B. Ostojić, P. Schwerdtfeger,  P. R. Bunker, and Per Jensen: An ab initio study of SbH2 and BiH2: The Renner Effect, Spin-Orbit Coupling, Local Mode Vibrations and Rovibronic Energy Level Clustering in SbH2J.  Mol. Spectrosc. 330, 130–141 (2016).  DOI:   10.1016/j.jms.2016.03.004

208. H. Schmiedt, Per Jensen, and S. Schlemmer: Collective molecular superrotation: A model for extremely flexible molecules applied to protonated methane,  Phys. Rev. Lett., 117, 223002/1-5 (2016).  DOI:   10.1103/PhysRevLett.117.223002

207. V. V. Melnikov, S. N. Yurchenko, J. Tennyson, and Per Jensen: Radiative cooling of H3O+ and its deuterated isotopologues,  Phys. Chem. Chem. Phys. 18, 26268-26274 (2016).  DOI: 10.1039/C6CP04661D  Open access - download here

206. H. Schmiedt, Per Jensen, and S. Schlemmer: Unifying the rotational and permutation symmetry of nuclear spin states: Schur-Weyl duality in molecular physics,  J.  Chem. Phys. 145, 074301/1-6 (2016).  DOI:   10.1063/1.4960956

205. A. Y. Adam, A. Yachmenev, S. N. Yurchenko, and Per Jensen: Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical, J.  Chem. Phys.   143,  244306/1-7   (2015). DOI:   10.1063/1.4938253

204. V. V. Melnikov, S. N. Yurchenko, Per Jensen, and A. I. Potekaev: Development of a general approach to the modeling of free and confined polyatomic systems,  Izvestiya vuz. Fizika  58, 8-11 (2015)   [In Russian]. English translation as Russian Physics Journal   58, 1040-1043 (2015).   DOI:   10.1007/s11182-015-0608-4

203. H. Schmiedt, S. Schlemmer, and Per Jensen: Symmetry of extremely floppy molecules: Molecular states beyond rotation-vibration separation,  J. Chem. Phys. 143, 154302/1-8 (2015). DOI:  10.1063/1.4933001

202. I. Forsung Chi Mbapeh, S. C. Galleguillos Kempf, and Per Jensen: Spectroscopic Potential Energy Surfaces for the 12A′, 22A′, and 12A′′ Electronic States of BeOH,  J. Phys. Chem. A 119, 10112−10123 (2015). DOI:  10.1021/acs.jpca.5b07410

201. A. Predoi-Cross and Per Jensen: Corrigendum: Foreword, Special issue: Mid- and Far-Infrared Spectroscopy: Techniques and Applications,  Can. J. Phys. 93, 105-105 (2014) DOI:  10.1139/cjp-2014-0662

200. T. Hirano, M. Ben Dahman Andaloussi, U. Nagashima, and Per Jensen: Electronic structure and rovibrational properties of ZnOH in the X 2A′ electronic state: A computational molecular spectroscopy study,  J. Chem. Phys. 141, 094308/1-14 (2014) DOI:  10.1063/1.4892895

199. D. S. Underwood, S. N. Yurchenko, J. Tennyson, and Per Jensen: Rotational spectrum of SO3 and theoretical evidence for the formation of rotational energy level clusters in its vibrational ground state,  J. Chem. Phys. 140, 244316/1-10 (2014). DOI:  10.1063/1.4882865

198. B. Ostojić, Per Jensen,  P. Schwerdtfeger, and P. R. Bunker: Singlet-triplet interaction in Group 2 M2O hypermetallic oxides,  J. Mol. Spectrosc.  301,  20–24 (2014). DOI: 10.1016/j.jms.2014.05.003 

197. K. J. Mascaritolo, J. M. Merritt, M. C. Heaven, and Per Jensen: Experimental and theoretical characterization of the 22A'-12A'  transition of BeOH/D, J. Phys. Chem. A 117, 13654–13663 (2013). DOI: 10.1021/jp407655h

196. R. I. Ovsyannikov, T. Hirano, and Per Jensen: The Renner Effect in the X2A'' and Ã2A'  Electronic States of HSO/HOS, J. Phys. Chem. A 117, 13450–13464 (2013).  DOI: 10.1021/jp406940w   Article prepared by invitation.

195. B. Ostojić, Per Jensen,  P. Schwerdtfeger, and P. R. Bunker:  The predicted spectrum and singlet-triplet interaction of the hypermetallic molecule SrOSr, J. Phys. Chem. A 117,  9370–9379 (2013). DOI: 10.1021/jp310531s

194. P. Singh, U. P. Verma, and Per Jensen: Phase transition from BCT to spinel structure in CdAl2Se4 and its optical properties, Journal of Physics and Chemistry of Solids 74, 1363–1368 (2013)  DOI: 10.1016/j.jpcs.2013.04.010

193. J. Krieg, V. Lutter, C. P. Endres, I. H. Keppeler, Per Jensen, M. E.  Harding, J. Vázquez, S. Schlemmer, T. F. Giesen, and S. Thorwirth: High-Resolution Spectroscopy of C3 around 3 μm, J. Phys. Chem. A 117, 3332–3339 (2013). DOI: 10.1021/jp3119204

192. P. Singh, U. P. Verma, and Per Jensen: Pressure and temperature induced structural, electronic and thermal properties of CdAl2Se4, Solid State Communications 152, 624-629 (2012). DOI: 10.1016/j.ssc.2012.01.009

191. T. Hirano, R. Okuda, U. Nagashima, and Per Jensen: Geometries and electronic structures of the ground and low-lying excited states of FeCO: an ab initio study, J. Chem. Phys.  137, 244303/1-13 (2012). DOI: 10.1063/1.4769283

190. B. Ostojić, P. R. Bunker, P. Schwerdtfeger, A. Gertych, and Per Jensen:  The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states X1Σg+and a3Σu+J. Mol. Structure 1023, 101-107 (2012). DOI: 10.1016/j.molstruc.2012.03.048

189.  Per Jensen: Local modes in vibration-rotation spectroscopy, WIREs  Comput. Mol. Sci. (Wiley Interdisciplinary Reviews) 2, 494–512 (2012). DOI:  10.1002/wcms.1089   "Advanced review" prepared by invitation.

188. U. P. Verma, P. Singh, and Per Jensen: Theoretical study on pressure induced phase transition and thermal properties of HgAl2Se4Physica Status Solidi B 248, 2801–2808 (2011). DOI: 10.1002/pssb.201147084

187. U. P. Verma, M. Sharma and Per Jensen: Ab initio study of the properties of CuAlSe2: A chalcopyrite compound, Zeitschrift für Kristallographie 226,  814-821 (2011).   DOI: 10.1524/zkri.2011.1417

186. U. P. Verma, Per Jensen, M. Sharma, and P. Singh: Ab initio studies of structural, electronic, optical and thermal properties of CuAlS2 chalcopyrite, Computational and Theoretical Chemistry 975, 122-127 (2011). DOI: 10.1016/j.comptc.2011.03.008

185. S. N. Yurchenko, R. J. Barber, J. Tennyson, W. Thiel, and Per Jensen: Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study, J. Mol. Spectrosc. 268, 123-129 (2011). DOI: 10.1016/j.jms.2011.04.005

184. U. P. Verma, N. Devi, S. Sharma, and Per Jensen: Spin-polarized first-principles study of ferromagnetism in zinc-blende In1−xMnxSb, Eur. Phys. J. B 81, 381–386 (2011). DOI: 10.1140/epjb/e2011-20047-8

183. P. Singh, U. P. Verma, and Per Jensen: Electronic and optical properties of defect chalcopyrite HgAl2Se4Journal of Physics and Chemistry of Solids  12, 1414–1418 (2011). DOI: 10.1016/j.jpcs.2011.08.013

182. A. Yachmenev, S. N. Yurchenko, Per Jensen, and W. Thiel: A new spectroscopic potential energy surface for formaldehyde in its ground electronic state, J. Chem. Phys. 134, 244307/1-11 (2011). DOI: 10.1063/1.3599927

181. U. P. Verma, P. Singh, and Per Jensen: A study of the electronic, optical and thermal properties for ZnAl2Se4 using the FP-LAPW method, Physica Status Solidi B 248, 1682–1689 (2011). DOI: 10.1002/pssb.201046389

180. B. Ostojić, P. R. Bunker, P. Schwerdtfeger, B. Assadollahzadeh, and Per Jensen: The predicted spectrum of the hypermetallic molecule MgOMg, Phys. Chem. Chem. Phys. 13, 7546–7553 (2011). DOI: 10.1039/c0cp02996c

179. P. Singh, M. Sharma, U. P. Verma, and Per Jensen: Pressure effects on energy gaps and phase transitions in ZnAl2Se4Zeitschrift für Kristallographie 225, 508-513 (2010). DOI: 10.1524/zkri.2010.1301

178. U. P. Verma, Mohini, P. S. Bisht, and Per Jensen: Ab initio studies of structural, electronic, magnetic and mechanical properties of alkali earth metal silicides, Semicond. Sci. Technol. 25, 105002/1-8 (2010). DOI:  10.1088/0268-1242/25/10/105002

177. T. Hirano, V. Derpmann, U. Nagashima, and Per Jensen: Large amplitude bending motion in CsOH, studied through ab initio-based three-dimensional potential energy functions, J. Mol. Spectrosc. 263, 150-159 (2010). DOI:  10.1016/j.jms.2010.07.009

176. B. Ostojić, Per Jensen, P. Schwerdtfeger, B. Assadollahzadeh, and P. R. Bunker: The predicted infrared spectrum of the hyperberyllium molecule BeOBe in its X1Σg+and a3Σu+ electronic states, J. Mol. Spectrosc. 263, 21-26 (2010). DOI: 10.1016/j.jms.2010.06.008

175. A. Yachmenev, S. N. Yurchenko, Per Jensen, O. Baum, T. F. Giesen, and W. Thiel: Theoretical rotation-torsion spectra of HSOH, Phys. Chem. Chem. Phys. 12, 8387 - 8397 (2010). DOI: 10.1039/c002803g

174. S. N. Yurchenko, M. Carvajal, A. Yachmenev, W. Thiel, and Per Jensen: A theoretical-spectroscopy, ab-initio-based study of the electronic ground state of 121SbH3J. Q. S. R. T. 111,  2279-2290 (2010). DOI: 10.1016/j.jqsrt.2010.03.008

173. A. Yachmenev, S. Yurchenko, I. Paidarová, Per Jensen, W. Thiel, and S. Sauer: Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: the importance of the large amplitude inversion mode, J. Chem. Phys. 132, 114305/1-15 (2010).  DOI:  10.1063/1.3359850

172. T. Hirano, U. Nagashima, G. Winnewisser, and Per Jensen: Electronic structures and rovibronically averaged geometries of the X6A' and Ã6A'' states of FeOH, J. Chem. Phys. 132, 094303/1-10 (2010). DOI:   10.1063/1.3317405

171. S. N. Yurchenko, R. J. Barber, A. Yachmenev, W. Thiel, Per Jensen, and J. Tennyson: A variationally computed T=300 K line list for NH3J. Phys. Chem. A 113, 11845-11855 (2009). DOI:  10.1021/jp9029425

170. S. N. Yurchenko, A. Yachmenev, W. Thiel, O. Baum, T. F. Giesen, V. V. Melnikov, and Per Jensen: An ab initio calculation of the vibrational energies and transition moments of HSOH, J. Mol. Spectrosc. 257, 57-65 (2009).  DOI: 10.1016/j.jms.2009.06.010

169. S. N. Yurchenko, R. I. Ovsyannikov, W. Thiel, and Per Jensen: Rotation-Vibration Energy Cluster Formation in XH2D and XHD2 Molecules (X = Bi, P, and Sb), J. Mol. Spectrosc. 256, 119-127 (2009).  DOI: 10.1016/j.jms.2009.03.001

168. T. Hirano, P. R. Bunker, S. Patchkovskii, U. Nagashima, and Per Jensen: The Predicted Spectrum of FeOH in Its Renner-degenerate X6A' and Ã6A'' Electronic States, J. Mol. Spectrosc. 256, 45-52 (2009).   DOI: 10.1016/j.jms.2009.01.013

167. R. I. Ovsyannikov, Per Jensen, M. Yu. Tretyakov, and S. N. Yurchenko: On the Use of the Finite Difference Method in a Calculation of Vibration-Rotation Energies, Optika i Spektroskopiya 107, 236-243 (2009) [in Russian]. English translation as Optics and Spectroscopy 107, 221-227 (2009).    DOI: 10.1134/S0030400X09080104

166. V. V. Melnikov, Per Jensen, and T. Hirano: Calculation of Rovibronic Intensities for Triatomic Molecules in Double-Renner-degenerate Electronic States. Application to the X2A'' and Ã2A' Electronic States of HO2J. Chem. Phys. 130, 224105/1-9 (2009).   DOI: 10.1063/1.3139916

165. K. M. T. Yamada, Per Jensen, S. C. Ross, O. Baum, T. F. Giesen, and S. Schlemmer: The torsional and asymmetry splittings in HSOH, J. Mol. Structure 927, 96-100 (2009).    DOI: 10.1016/j.molstruc.2009.02.022

164. R. I. Ovsyannikov, W. Thiel, S. N. Yurchenko, M. Carvajal, and Per Jensen: PH3 revisited: Theoretical transition moments for the vibrational transitions below 7000 cm-1J. Mol. Spectrosc. 252, 121-128 (2008).   DOI: 10.1016/j.jms.2008.07.005

163. R. I. Ovsyannikov, V. V. Melnikov, W. Thiel, Per Jensen, O. Baum. T. F. Giesen, and S. N. Yurchenko: Theoretical rotation-torsion energies of HSOH, J. Chem. Phys. 129, 154314/1-9 (2008).    DOI: 10.1063/1.2992050

162. R. I. Ovsyannikov, W. Thiel, S. N. Yurchenko, M. Carvajal, and Per Jensen: Vibrational energies of PH3 calculated variationally at the complete basis set limit, J. Chem. Phys. 129, 044309/1-8 (2008).   DOI:  10.1063/1.2956488

161. T. Hirano, R. Okuda, U. Nagashima, and Per Jensen: Computational Molecular Spectroscopy for X2Δ NiCN: Large Amplitude Bending Motion, J. Mol. Spectrosc. 250, 33-43 (2008).   DOI: 10.1016/j.jms.2008.04.001

160. S. N. Yurchenko, W. Thiel, M. Carvajal, and Per Jensen: Ab initio potential energy surface, electric dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of 14NH3+Chem. Phys., 346, 146-159 (2008).  DOI: 10.1016/j.chemphys.2008.01.052

159. T. Hirano, R. Okuda, U. Nagashima, K. Tanaka, and Per Jensen: Ab Initio Molecular Orbital Study of Ground and Low-Lying Electronic States of NiCN, Chem. Phys., 346, 13-22 (2008).  DOI: 10.1016/j.chemphys.2008.01.022

158. V. V. Melnikov, T. E. Odaka, Per Jensen, and T. Hirano: The Double Renner Effect in the X2A'' and Ã2A' Electronic States of HO2J. Chem. Phys. 128, 114316/1-10 (2008).  DOI:  10.1063/1.2827490

157. S. N. Yurchenko, W. Thiel, and Per Jensen: Theoretical ROVibrational Energies (TROVE): A robust numerical approach to the calculation of ro-vibrational energies for polyatomic molecules, J. Mol. Spectrosc. 245, 126-140 (2007). DOI: 10.1016/j.jms.2007.07.009

156. P. R. Bunker, W. P. Kraemer, S. N. Yurchenko, W. Thiel, C. F. Neese, J. L. Gottfried, and Per Jensen: New potential energy surfaces for the X and A states of CH2+Mol. Phys. 105, 1369-1376 (2007). DOI: 10.1080/00268970701344534

155. V. Rai-Constapel, H.-P. Liebermann, R. J. Buenker, M. Honigmann, and Per Jensen: A Theoretical Study of TeOH in Its Electronic Ground State, J. Mol. Spectrosc. 244, 102-108 (2007).  DOI: 10.1016/j.jms.2007.05.004

154. T. Hirano, M. Amano, Y. Mitsui, S. S. Itono, R. Okuda, U. Nagashima, and Per Jensen: A Theoretical Study of FeCN in the 6Δ Electronic Ground State, J. Mol. Spectrosc. 243, 267-279 (2007).  DOI: 10.1016/j.jms.2007.02.005

153. T. Hirano, R. Okuda, U. Nagashima, Y. Nakashima, K. Tanaka, and Per Jensen: A theoretical study of BrCN+ in the 2Π electronic ground state: Large amplitude bending motion, J. Mol. Spectrosc. 243, 202-218 (2007).  DOI: 10.1016/j.jms.2007.02.006

152. T. Hirano, R. Okuda, U. Nagashima, and Per Jensen: Ab Initio Molecular Orbital Study of Ground and Low-Lying Electronic States of CoCN, J. Chem. Phys. 127, 014303/1-7 (2007). DOI: 10.1063/1.2723110

 151. T. Hirano, R. Okuda, U. Nagashima, and Per Jensen: A Theoretical Study of CoCN in the 3Φ Electronic Ground State, Mol. Phys. 105, 599-611 (2007). DOI: 10.1080/00268970601126734

150. T. E. Odaka, V. V. Melnikov, Per Jensen, T. Hirano, B. Lang, and P. Langer: Theoretical Study of the Double Renner Effect for Ã2Π MgNC/MgCN: Higher Excited Rovibrational States, J. Chem. Phys. 126, 094301/1-9 (2007). DOI:  10.1063/1.2464094

149. S. N. Yurchenko, W. Thiel, and Per Jensen: Rotational energy cluster formation in XY3 molecules: Excited vibrational states of BiH3 and SbH3J. Mol. Spectrosc. 240, 197-210 (2006).  DOI: 10.1016/j.jms.2006.10.002

148. S. N. Yurchenko, W. Thiel, Per Jensen, and P. R. Bunker: Rotation-vibration energy level clustering in the X2B1 ground electronic state of PH2J. Mol. Spectrosc. 239, 160-173 (2006).  DOI: 10.1016/j.jms.2006.07.002

147. S. N. Yurchenko, M. Carvajal, W. Thiel, and Per Jensen: Ab initio dipole moment and theoretical rovibrational intensities in the electronic ground state of PH3J. Mol. Spectrosc. 239, 71-87 (2006).  DOI: 10.1016/j.jms.2006.06.001

146. T. E. Odaka, Per Jensen, and T. Hirano: The Double Renner Effect: A Theoretical Study of the MgNC/MgCN Isomerization in the Ã2Π Electronic State, J. Mol. Structure 795, 14-41 (2006). DOI:  10.1016/j.molstruc.2005.10.059

145. P. R. Bunker, R. Guérout, Z. J. Jakubek, Per Jensen, and S. N. Yurchenko: The rovibronic energies of the SiNSi radical in its X2Πg electronic state, J. Mol. Structure 795, 9-13 (2006).  DOI: 10.1016/j.molstruc.2006.02.014

144. T. Hirano, R. Okuda, U. Nagashima, V. Špirko, and Per Jensen: A Theoretical Study of FeNC in the 6Δ Electronic Ground State, J. Mol. Spectrosc. 236, 234-247 (2006).  DOI: 10.1016/j.jms.2006.02.002

143. Z. J. Jakubek, P. R. Bunker, M. Zachwieja, S. G. Nakhate, B. Simard, S. N. Yurchenko, W. Thiel, and Per Jensen: A Dispersed Fluorescence and Ab Initio Investigation of the X2B1 and Ã2A1 Electronic States of the PH2 Molecule, J. Chem. Phys. 124, 094306/1-5 (2006). DOI:  10.1063/1.2168155

142. R. Guérout, P. R. Bunker, Per Jensen, and W.P. Kraemer: A calculation of the rovibronic energies and spectrum of the B1A1 electronic state of SiH2J. Chem. Phys. 123, 244312/1-8 (2005).  DOI:   10.1063/1.2139676

141. S. N. Yurchenko, J. Zheng, H. Lin, P. Jensen, and W. Thiel: Potential energy surface for the electronic ground state of NH3 up to 20000 cm-1 above equilibrium, J. Chem. Phys. 123, 134308/1-14 (2005).  DOI:  10.1063/1.2047572

140. S. N. Yurchenko, W. Thiel, M. Carvajal, H. Lin, and Per Jensen: Rotation-Vibration Motion of Pyramidal XY3 Molecules Described in the Eckart Frame: The Calculation of Intensities with Application to NH3Adv. Quant. Chem. 48, 209-238 (2005).  DOI:   10.1016/S0065-3276(05)48014-4   Article prepared by invitation.

139. S. N. Yurchenko, M. Carvajal, H. Lin, J. J. Zheng, W. Thiel, and Per Jensen: Dipole moment and rovibrational intensities in the electronic ground state of NH3: Bridging the gap between ab initio theory and spectroscopic experiment, J. Chem. Phys. 122, 104317 (2005).  DOI:   10.1063/1.1862620

138. S. N. Yurchenko, P. R. Bunker, and Per Jensen: Coulomb Explosion Imaging: The CH3+ and H3O+ Molecules, J. Mol. Structure 742, 43-48 (2005). DOI: 10.1016/j.molstruc.2004.11.092

137. S. N. Yurchenko, W. Thiel, S. Patchkovskii, and Per Jensen: Theoretical Evidence for the Formation of Rotational Energy Level Clusters in the Vibrational Ground State of PH3Phys. Chem. Chem. Phys. 7, 573-582 (2005).  DOI: 10.1039/B418073A

136. S. N. Yurchenko, M. Carvajal, Per Jensen, H. Lin, J. Zheng, and W. Thiel: Rotation-vibration motion of pyramidal XY3 molecules described in the Eckart frame: Theory and application to NH3Mol. Phys. 103, 359-378 (2005).    DOI:   10.1080/002689705412331517255

135. P. R. Bunker and Per Jensen: Chirality in Rotational Energy Level Clusters, J. Mol. Spectrosc. 228, 640-644 (2004).   DOI:  10.1016/j.jms.2004.02.027

134. S. N. Yurchenko, P. R. Bunker, W. P. Kraemer, and Per Jensen: The spectrum of singlet SiH2Can. J. Chem. 82, 694-708 (2004).  DOI: 10.1139/v04-030

133. S. Brünken, E. A. Michael, F. Lewen, T. Giesen, H. Ozeki, G. Winnewisser, Per Jensen, and E. Herbst: High Resolution Terahertz Spectrum of CH2: Low J Rotational Transitions Near 2 THz, Can. J. Chem. 82, 676-683 (2004).  DOI: 10.1139/v04-034

132. V. V. Melnikov and Per Jensen: Potential energy surface and spectroscopic parameters of X3Σ- CNN, Chem. Phys. Lett. 394, 171-175 (2004).    DOI:  10.1016/j.cplett.2004.06.129

131. O. N. Ulenikov, E. S. Bekhtereva, N. A. Sanzharov, and Per Jensen: A Refined Potential Energy Function for the Electronic Ground State of H2Se, J. Mol. Spectrosc. 227, 1-12 (2004).  DOI:  10.1016/j.jms.2004.04.012

130. K. M. T. Yamada, G. Winnewisser, and Per Jensen: Internal Rotation Tunneling in HSOH, J. Mol. Structure 695-696, 323-337 (2004). DOI: 10.1016/j.molstruc.2003.12.042

129. O. Bludský, V. Špirko, T. E. Odaka, Per Jensen, and T. Hirano: A theoretical study of the MgNC/MgCN isomerization in the electronic ground state, J. Mol. Structure 695-696, 219-226 (2004).  DOI:  10.1016/j.molstruc.2003.11.049

128. S. Wu, Y. Chen, X. Yang, Y. Guo, Y. Liu, Y. Li, R. J. Buenker, and Per Jensen: Vibronic Transition Moments and Line Intensities in H2O+J. Mol. Spectrosc. 225, 96-106 (2004). DOI:   10.1016/j.jms.2004.02.011

127. S. N. Yurchenko, M. Carvajal, Per Jensen, F. Herregodts, and T. R. Huet: Potential parameters of PH3 obtained by simultaneous fitting of ab initio data and experimental vibrational band origins, Chem. Phys. 290, 59-67 (2003).  DOI: 10.1016/S0301-0104(03)00098-3

126. Per Jensen, W. P. Kraemer, and P. R. Bunker, Transition moments and NH2 cometary spectra, Mol. Phys.  101, 613-622 (2003).   DOI:  10.1080/0026897021000021840

125. H. Lin, W. Thiel, S. N. Yurchenko, M. Carvajal, and Per Jensen: Vibrational energies for NH3 based on high level ab initio potential energy surfaces, J. Chem. Phys. 117, 11265-11276 (2002).  DOI: 10.1063/1.1521762

124. P. R. Bunker, W. P. Kraemer, Per Jensen, Y.-C. Lee, and Y.-P. Lee, The Matrix Isolation Spectrum of the CH2+ Ion, J. Mol. Spectrosc. 216, 419-423 (2002). DOI: 10.1006/jmsp.2002.8636

123. T. E. Odaka, T. Hirano, and Per Jensen: A Theoretical Study of Ã2Π MgCN, J. Mol. Spectrosc. 216, 379-396 (2002). DOI: 10.1006/jmsp.2002.8633

122. T. Hirano, K. Ishii, T. E. Odaka, and Per Jensen: A Theoretical Study of MgNC and MgCN in the X2Σ+ Electronic State, J. Mol. Spectrosc. 215, 42-57 (2002). DOI: 10.1006/jmsp.2002.8598

121. Per Jensen, S. S. Wesolowski, N. R. Brinkmann, N. A. Richardson, Y. Yamaguchi, H. F. Schaefer III, and P. R. Bunker: A Theoretical Study of ã4A2 CH2+J. Mol. Spectrosc. 211, 254-261 (2002). DOI: 10.1006/jmsp.2001.8503

120. T. E. Odaka, T. Hirano, and Per Jensen: An Ab Initio Study of the Ã2Π and the Ã2Π ← X2Σ+ Electronic Transition of MgNC, J. Mol. Spectrosc. 211, 147-161 (2002). DOI:   10.1006/jmsp.2001.8485

119. Per Jensen, T. E. Odaka, W. P. Kraemer, T. Hirano, and P. R. Bunker: The Renner Effect in Triatomic Molecules with Application to CH2+, MgNC and NH2Spectrochimica Acta Part A 58, 763-794 (2002).  DOI:   10.1016/S1386-1425(01)00668-0

118. U.G. Jørgensen, Per Jensen, G.O. Sørensen, and B. Aringer: H2O in Stellar Atmospheres, Astronomy & Astrophysics 372, 249-259 (2001).  DOI:   10.1051/0004-6361:20010285

117. S. N. Yurchenko, Per Jensen, Y. Li, R. J. Buenker, and P. R. Bunker: The Near Ultraviolet Band System of Singlet Methylene, J. Mol. Spectrosc. 208, 136-143 (2001).  DOI:  10.1006/jmsp.2001.8371

116. P. R. Bunker, M.-C. Chan, W. P. Kraemer, and Per Jensen: Predicted Rovibronic Spectra of CH2+ and CD2+Chem. Phys. Lett. 341, 358-362 (2001).   DOI:   10.1016/S0009-2614(01)00498-5

115. Per Jensen, R. J. Buenker, J.-P, Gu, G. Osmann and P. R. Bunker: Refined Potential Energy Surfaces for the X2A'' and A2A' Electronic States of the HO2 Molecule, Can. J. Phys. 79, 641-652 (2001).  DOI:    10.1139/p01-018

114. Per Jensen: An Introduction to the Theory of Local Mode Vibrations, Mol. Phys. 98, 1253-1285 (2000).   DOI:  10.1080/002689700413532  Article prepared by invitation.

113. Vl. G. Tyuterev, T. Cours, S. A. Tashkun, A. Barbe, and Per Jensen: Potential Function of the Ozone Molecule: Global Calculation of the Rovibrational States and the Dissociation Behaviour, SPIE Proceeding Series, Publications of the International Society for Optical Engineering, Washington 4063, 142-151 (2000).    DOI:  10.1117/12.375367

112. O. Bludský, P. Nachtigall, J.  Hrušák, and Per Jensen: The Calculation of the Vibrational States of SO2 in the C1B2 Electronic State up to the SO(3Σ-)+O(3P) Dissociation Limit, Chem. Phys. Lett. 318, 607-613 (2000). DOI: 10.1016/S0009-2614(00)00015-4

111. G. Osmann, P. R. Bunker, W. P. Kraemer, and Per Jensen: Coulomb Explosion Imaging: The CH2+, H2O+ and NH2+ Ions as Benchmarks, Chem. Phys. Lett. 318, 597-606 (2000).  DOI: 10.1016/S0009-2614(00)00051-8

110. Vl. G. Tyuterev, S. Tashkun, D. W. Schwenke, Per Jensen, T. Cours, A. Barbe, and M. Jacon: Variational EKE Calculations of Rovibrational Energies of the Ozone Molecule from an Empirical Potential Function, Chem. Phys. Lett. 316, 271-279 (2000).   DOI:  10.1016/S0009-2614(99)01228-2

109. A. L. L. East, H. Liu, E. C. Lim, Per Jensen, I. Déchène,   M. Z. Zgierski, W. Siebrand, and P. R. Bunker: Toluene Internal Rotation: Measurement and Simulation of 0.5 K High-Resolution Fluorescence Excitation Spectra, J. Chem. Phys. 112, 167-175 (2000).   DOI:   10.1063/1.480571

108. J.-P. Gu, G. Hirsch, R. J. Buenker, M. Brumm, G. Osmann, P. R. Bunker, and Per Jensen: A Theoretical Study of the Absorption Spectrum of Singlet CH2J. Mol. Structure 517, 247-264 (2000).  DOI: 10.1016/S0022-2860(99)00256-2

107. P. R. Bunker, O. Bludský, Per Jensen, S. S. Wesolowski, T. J. Van Huis, Y. Yamaguchi, and H. F. Schaefer III: The H2O++ Ground State Potential Energy Surface, J. Mol. Spectrosc. 198, 371-375 (1999).  DOI: 10.1006/jmsp.1999.7970

106. Vl. G. Tyuterev, S. Tashkun, Per Jensen, A. Barbe, and T. Cours: Determination of the Effective Ground-state Potential Energy Function of Ozone from High Resolution Infrared Spectra, J. Mol. Spectrosc. 198, 57-76 (1999).  DOI: 10.1006/jmsp.1999.7928

105. G. Osmann, P. R. Bunker, Per Jensen, R. J. Buenker, J.-P. Gu, and G. Hirsch: A Theoretical Investigation of the Renner Interactions and Magnetic Dipole Transitions in the Ã - X Electronic Band System of HO2J. Mol. Spectrosc. 197, 262-274 (1999). DOI:   10.1006/jmsp.1999.7919

104. Per Jensen and P. R. Bunker: Nuclear Spin Statistical Weights Revisited, Mol. Phys. 97, 821-824 (1999). DOI:   10.1080/00268979909482882

103. G. Osmann, P. R. Bunker, W. P. Kraemer, and Per Jensen: Coulomb Explosion Imaging and the CH2+ Molecule, Chem. Phys. Lett. 309, 299-306 (1999).  DOI: 10.1016/S0009-2614(99)00682-X

102. P. R. Bunker and Per Jensen: Spherical Top Molecules and the Molecular Symmetry Group, Mol. Phys. 97, 255-264 (1999).  DOI:  10.1080/00268979909482827

101. G. Osmann, P. R. Bunker, Per Jensen, and W. P. Kraemer: An Ab Initio Study of the NH2+ Absorption Spectrum, J. Mol. Spectrosc. 186, 319-334 (1997). DOI: 10.1006/jmsp.1997.7452

100. G. Osmann, P. R. Bunker, Per Jensen, and W. P. Kraemer: A Theoretical Calculation of the Absorption Spectrum of CH2+Chem. Phys. 225, 33-54 (1997). DOI: 10.1016/S0301-0104(97)00173-0

99. P. C. Gómez, L. F. Pacios, and Per Jensen: Fourfold Clusters of Rovibrational Energies in H2Po Studied with an ab initio Potential Energy Function, J. Mol. Spectrosc. 186, 99-104 (1997). DOI: 10.1006/jmsp.1997.7434

98. P. C. Gómez and Per Jensen: A Potential Energy Surface for the Electronic Ground State of H2Te Derived from Experiment, J. Mol. Spectrosc. 185, 282-289 (1997).  DOI: 10.1006/jmsp.1997.7386

97. J. H. Schryber, O. L. Polyansky, Per Jensen, and J. Tennyson: On the Spectroscopically Determined Potential Energy Surfaces for the Electronic Ground States of NO2 and H2O, J. Mol. Spectrosc. 185, 234-243 (1997).  DOI:
10.1006/jmsp.1997.7407

96. I. N. Kozin and Per Jensen: The Effects of the Nonzero Total Electron Spin in the X3B1 State of Methylene CH2J. Mol. Spectrosc. 183, 398-406 (1997).  DOI: 10.1006/jmsp.1997.7288

95. O. Bludský and Per Jensen: The Calculation of the Bound and Quasibound Vibrational States of Ozone in its 1B2 Electronic State, Mol. Phys. 91, 653-661 (1997). DOI:   10.1080/002689797171148  

94. Per Jensen, I. Paidarová, V. Špirko, and S. P. A. Sauer: Theoretical Calculations of the Hyperfine Structure in the Spectra of H3+ and its Deuterated Isotopomers, Mol. Phys. 91, 319-332 (1997).  DOI:  10.1080/002689797171616

93. V. Špirko, M. Mengel, and Per Jensen: Calculation of Rotation-Vibration Energy Levels in Ground State C3 by a Born-Oppenheimer-Type Separation of the Vibrational Motions, J. Mol. Spectrosc. 183, 129-138 (1997). DOI: 10.1006/jmsp.1996.7257

92. Per Jensen: Theoretical Rotation-Vibration Energies of X3 B1 NH2+J. Mol. Spectrosc. 181, 207-214 (1997). DOI: 10.1006/jmsp.1996.7159

91. I. N. Kozin, Per Jensen, Y. Li, R. J. Buenker, G. Hirsch, and S. Klee: An ab initio Calculation of the Dipole Moment Surfaces and the Vibrational Transition Moments of the H2Te Molecule, J. Mol. Spectrosc. 181, 108-118 (1997). DOI: 10.1006/jmsp.1996.7145

90. P. R. Bunker, Per Jensen, Y. Yamaguchi, and H. F. Schaefer III: High-Level ab Initio Calculation of the Rotation-Vibration Energies in the c 1 A1 State of Methylene, CH2J. Phys. Chem. 100, 18088-18092 (1996).  DOI: 10.1021/jp961993j

89. I. N. Kozin, Per Jensen, O. Polanz, S. Klee, L. Poteau, and J. Demaison: The Rotational Spectrum of H2Te, J. Mol. Spectrosc. 180, 402-413 (1996).   DOI: 10.1006/jmsp.1996.0264

88. O. L. Polyansky, Per Jensen, and J. Tennyson: The Potential Energy Surface of H216O, J. Chem. Phys. 105, 6490-6497 (1996).   DOI:  10.1063/1.472501

87. P. R. Bunker, Per Jensen, Y. Yamaguchi, and H. F. Schaefer III: The c 1 A1 State of Methylene CH2J. Mol. Spectrosc. 179, 263-268 (1996).   DOI: 10.1006/jmsp.1996.0205

86. O. L. Polyansky, Per Jensen, and J. Tennyson: The Potential Energy Surface of Hydrogen Sulfide, J. Mol. Spectrosc. 178, 184-188 (1996).  DOI: 10.1006/jmsp.1996.0172

85. J.-P. Gu, R. J. Buenker, G. Hirsch, Per Jensen, and P. R. Bunker: An ab initio Calculation of BH2- Rovibronic Energies: a Very Small Singlet-Triplet Splitting, J. Mol. Spectrosc. 178, 172-183 (1996). DOI: 10.1006/jmsp.1996.0171

84. M. Kolbuszewski, P. R. Bunker, W. P. Kraemer, G. Osmann, and Per Jensen: An ab initio Calculation of the Rovibronic Energies of the BH2 Molecule, Mol. Phys. 88, 105-124 (1996).  DOI: 10.1080/00268979650026622

83. P. R. Bunker, M. Kolbuszewski, Per Jensen, M. Brumm, M. A. Anderson, W. L. Barclay Jr., L. M. Ziurys, Y. Ni, and D. O. Harris: New Rovibrational Data for MgOH and MgOD and the Internuclear Potential Function of the Ground Electronic State, Chem. Phys. Lett. 239, 217-222 (1995). DOI: 10.1016/0009-2614(95)00479-N

82. Per Jensen, M. Brumm, W. P. Kraemer, and P. R. Bunker: An ab initio Calculation of the Rovibronic Energies of the CH2+ Molecule, J. Mol. Spectrosc. 172, 194-204 (1995). DOI: 10.1006/jmsp.1995.1166

81. J.-M. Flaud, C. Camy-Peyret, H. Bürger, Per Jensen, and I. N. Kozin: Experimental Evidence for the Formation of Fourfold Rovibrational Energy Clusters in the ν13 Vibrational States of H280Se, J. Mol. Spectrosc. 172, 126-134 (1995).  DOI: 10.1006/jmsp.1995.1161

80. Per Jensen, M. Brumm, W. P. Kraemer, and P. R. Bunker: A Treatment of the Renner Effect Using the MORBID Hamiltonian, J. Mol. Spectrosc. 171, 31-57 (1995). DOI: 10.1006/jmsp.1995.1101

79. M. Kolbuszewski, P. R. Bunker, and Per Jensen: The Potential Energy Function of CS2 Derived from Rovibrational Data, J. Mol. Spectrosc. 170, 158-165 (1995). DOI: 10.1006/jmsp.1995.1062

78. M. Mengel and Per Jensen: A Theoretical Study of the Stark Effect in Triatomic Molecules: Application to H2O, J. Mol. Spectrosc. 169, 73-91 (1995). DOI:  10.1006/jmsp.1995.1007

77. Per Jensen, Yan Li, G. Hirsch, R. J. Buenker, T. J. Lee, and I. N. Kozin: Fourfold Clusters of Rovibrational Energies in H2Te Studied with an ab initio Potential Energy Function, Chem. Phys. 190, 179-189 (1995).  DOI:   10.1016/0301-0104(94)00262-9

76. Per Jensen, S. A. Tashkun, and Vl. G. Tyuterev: A Refined Potential Energy Surface for the Electronic Ground State of the Water Molecule, J. Mol. Spectrosc. 168, 271-289 (1994).  DOI: 10.1006/jmsp.1994.1277

75. W. P. Kraemer, Per Jensen, and P. R. Bunker: An ab initio Calculation of the Vibronic Energies of the CH2+ Molecule, Can. J. Phys. 72, 871-878 (1994).  DOI: 10.1139/p94-114

74. O. L. Polyansky, Per Jensen, and J. Tennyson: A Spectroscopically Determined Potential Energy Surface for the Ground State of H216O: A New Level of Accuracy, J. Chem. Phys. 101, 7651-7657 (1994).  DOI: 10.1063/1.468258

73. J. Almlöf, Per Jensen, F. J. Northrup, C. M. Rohlfing, E. A. Rohlfing, and T. J. Sears: Comment on: "The ν1 + ν3 combination mode of C3 in Ar and Kr matrices: evidence for a bent structure" by Jan Szczepanski and Martin Vala, J. Chem. Phys. 99, 7371 (1993), J. Chem. Phys. 101, 5413-5413 (1994).  DOI: 10.1063/1.467329

72. S. A. Tashkun and Per Jensen: The Low-Energy Part of the Potential Function for the Electronic Ground State of NO2 Derived from Experiment, J. Mol. Spectrosc. 165, 173-184 (1994).  DOI: 10.1006/jmsp.1994.1120

71. Per Jensen and P.R. Bunker: The Molecular Symmetry Group for Molecules in High Angular Momentum States, J. Mol. Spectrosc. 164, 315-317 (1994). DOI: 10.1006/jmsp.1994.1075

70. J. Vander Auwera, J.K. Holland, Per Jensen, and J.W.C. Johns: The ν6 Band System of C3O2 near 540 cm-1J. Mol. Spectrosc. 163, 529-540 (1994).  DOI: 10.1006/jmsp.1994.1045

69. I.N. Kozin and Per Jensen: Fourfold Clusters of Rovibrational Energy Levels for H2S Studied with a Potential Energy Surface Derived from Experiment, J. Mol. Spectrosc. 163, 483-509 (1994).  DOI: 10.1006/jmsp.1994.1041

68. V. J. Barclay, I. P. Hamilton, and Per Jensen: Vibrational Levels of the Lowest-Lying Triplet and Singlet States of CH2 and NH2+J. Chem. Phys. 99, 9709-9719 (1993).  DOI:   10.1063/1.465453

67. U.G. Jørgensen and Per Jensen: The Dipole Moment Surface and the Vibrational Transition Moments of H2O, J. Mol. Spectrosc. 161, 219-242 (1993). DOI: 10.1006/jmsp.1993.1228

66. I.N. Kozin and Per Jensen: Four-fold Clusters of Rovibrational Energy Levels in the Fundamental Vibrational States of H2Se, J. Mol. Spectrosc. 161, 186-207 (1993).  DOI:  10.1006/jmsp.1993.1226

65. Per Jensen and I.N. Kozin: The Potential Energy Surface for the Electronic Ground State of H2Se Derived from Experiment, J. Mol. Spectrosc. 160, 39-57 (1993).  DOI:  10.1006/jmsp.1993.1155

64. J. Gräf and Per Jensen: A Theoretical Model for the Rotation and Vibration of Symmetrical Triatomic Molecules with Strong Coupling between the Local Stretching Modes, J. Mol. Spectrosc. 159, 175-191 (1993).  DOI:  10.1006/jmsp.1993.1116

63. I. N. Kozin, S. Klee, Per Jensen, O. L. Polyansky, and I. M. Pavlichenkov: The Far-Infrared Fourier Transform Spectrum of H2Se, J. Mol. Spectrosc. 158, 409-422 (1993). DOI: 10.1006/jmsp.1993.1085

62. L. Češpiva, V. Bonačič-Koutecký, J. Koutecký, Per Jensen, V. Hrouda, P. Čársky,  V. Špirko, and P. Hobza: Ab Initio Calculations of the Rotation-Vibration Spectrum of Na3+Collection of Czechoslovak Chemical Communications 58, 24-28 (1993).  DOI:  10.1135/cccc19930024

61. D.P. Chong, D. Papoušek, Y.-T. Chen, and Per Jensen: Theoretical Vibrational and Rotational Energies and Intensities of the HNSi and DNSi Molecules, J. Chem. Phys. 98, 1352-1357 (1993).  DOI:   10.1063/1.464302

60. P. R. Bunker, Per Jensen, S. C. Althorpe, and D. C. Clary: An ab initio calculation of the low rotation-vibration energies of the CO dimer, J. Mol. Spectrosc. 157, 208-219 (1993). DOI: 10.1006/jmsp.1993.1017

59. Per Jensen, C. McMichael Rohlfing, and J. Almlöf: Calculation of the Complete-active-space Self-consistent-field Potential-energy Surface, the Dipole Moment Surfaces, the Rotation-Vibration Energies and the Vibrational Transition Moments for C3 (X1Σg+), J. Chem. Phys. 97, 3399-3411 (1992).  DOI:   10.1063/1.462976

58. P.R. Bunker, I.P. Hamilton, and Per Jensen: Rotation-Vibration Energies for the HO2 Molecule, J. Mol. Spectrosc. 155, 44-54 (1992). DOI:   10.1016/0022-2852(92)90547-2

57. V. Barone, Per Jensen, and C. Minichino: Vibro-rotational Analysis of Si2C from an Ab Initio Potential Energy Surface. A Comparison between Perturbative and Variational Methods, J. Mol. Spectrosc. 154, 252-264 (1992). DOI:   10.1016/0022-2852(92)90206-4

56. W.P. Kraemer, Per Jensen, B.O. Roos, and P.R. Bunker: Ab Initio Rotation-Vibration Energies and Intensities for the HNC+ Molecule, J. Mol. Spectrosc. 153, 240-254 (1992). DOI:   10.1016/0022-2852(92)90472-Z

55. Per Jensen, P.R. Bunker, V.C. Epa, and A. Karpfen: An ab initio calculation of the fundamental and overtone HCl stretching vibrations for the HCl dimer, J. Mol. Spectrosc. 151, 384-395 (1992). DOI:  10.1016/0022-2852(92)90574-8

54. Per Jensen, I. Paidarová, J. Vojtík, and V. Špirko: Theoretical Calculations of the Nuclear Quadrupole Coupling in the Spectra of D3+, H2D+, and HD2+J. Mol. Spectrosc. 150, 137-163 (1991).  DOI:  10.1016/0022-2852(91)90198-J

53. P.R. Bunker, Per Jensen, and A. Karpfen: The v1 +  v2 = 4 Stretching Overtones of the HF Dimer and H-Atom Exchange, J. Mol. Spectrosc. 149, 512-518 (1991).  DOI:  10.1016/0022-2852(91)90306-U

52. Per Jensen, P.R. Bunker, and A. Karpfen: An Ab Initio Calculation of the Nonadiabatic Effect on the Tunneling Splitting in Vibrationally Excited (HF)2J. Mol. Spectrosc. 148, 385-390 (1991).  DOI:  10.1016/0022-2852(91)90395-Q

51. Per Jensen, M.D. Marshall, P.R. Bunker, and A. Karpfen: An Ab Initio Close-Coupling Calculation of the Lower Vibrational Energies of the HCl Dimer, Chem. Phys. Lett. 180, 594-600 (1991).   DOI: 10.1016/0009-2614(91)85016-P

50. Per Jensen, J. Oddershede, and J.R. Sabin: Geometric Dependence of the Mean Excitation Energy and Spectral Moments of Water, Phys. Rev. A 43, 4040-4043 (1991).  DOI: 10.1103/PhysRevA.43.4040

49. P.R. Bunker, V.C. Epa, Per Jensen, and A. Karpfen: An Analytical ab initio Potential Energy Surface and the Calculated Tunneling Energies for the HCl Dimer, J. Mol. Spectrosc. 146, 200-219 (1991).  DOI: 10.1016/0022-2852(91)90383-L

48. M.D. Marshall, Per Jensen, and P.R. Bunker: An Ab Initio Close-Coupling Calculation of the Lower Vibrational Energies of the HF Dimer, Chem. Phys. Lett. 176, 255-260 (1991). DOI: 10.1016/0009-2614(91)90026-6

47. A. Karpfen, P.R. Bunker, and Per Jensen: An Ab Initio Study of the Hydrogen Chloride Dimer: The Potential Energy Surface and the Characterization of the Stationary Points, Chem. Phys. 149, 299-309 (1991). DOI: 10.1016/0301-0104(91)90029-S

46. P.R. Bunker, Per Jensen, J.S. Wright, and I.P. Hamilton: Ab Initio Rotation-Vibration Energies and Intensities of the H2F+ Molecule, J. Mol. Spectrosc. 144, 310-322 (1990).  DOI: 10.1016/0022-2852(90)90217-E

45. Per Jensen, P.R. Bunker, A. Karpfen, M. Kofranek, and H. Lischka: An Ab Initio Calculation of the Intramolecular Stretching Spectra for the HF Dimer and its D-Substituted Isotopic Species, J. Chem. Phys. 93, 6266-6280 (1990).  DOI: 10.1063/1.458996

44. Per Jensen, R.J. Buenker, G. Hirsch, and S.N. Rai: An Ab Initio Calculation of the Rotation-Vibration Energies in the Electronic Ground State of NH2Mol. Phys. 70, 443-454 (1990). DOI:   10.1080/00268979000101111

43. P.R. Bunker, Per Jensen, A. Karpfen, M. Kofranek, and H. Lischka: An Ab Initio Calculation of the Stretching Energies for the HF Dimer, J. Chem. Phys. 92, 7432-7440 (1990).   DOI: 10.1063/1.458229

42. S. Civiš, C.E. Blom, and Per Jensen: Infrared Diode Laser Spectra and Potential Energy Curve for SH+J. Mol. Spectrosc. 138, 69-78 (1989).  DOI: 10.1016/0022-2852(89)90099-4

41. D.C. Comeau, I. Shavitt, Per Jensen, and P.R. Bunker: An Ab Initio Determination of the Potential Energy Surfaces and the Rotation-Vibration Energy Levels of Methylene in the Lowest Triplet and Singlet States and the Singlet-Triplet Splitting, J. Chem. Phys. 90, 6491-6500 (1989).  DOI:  10.1063/1.456315

40. P.R. Bunker, Per Jensen, A. Karpfen, and H. Lischka: A Theoretical Calculation of the Rotation-Vibration Energies for Lithium Hydroxide LiOH, J. Mol. Spectrosc. 135, 89-104 (1989). DOI:  10.1016/0022-2852(89)90357-3

39. Per Jensen: The Potential Energy Surface for the C3 Molecule Determined from Experimental Data. Evidence for a Bent Equilibrium Structure, Collection of Czechoslovak Chemical Communications 54, 1209-1218 (1989).   DOI:  10.1135/cccc19891209

38. Per Jensen: The Potential Energy Surface for the Electronic Ground State of the Water Molecule Determined from Experimental Data Using a Variational Approach, J. Mol. Spectrosc. 133, 438-460 (1989).  DOI:  10.1016/0022-2852(89)90203-8

37. Per Jensen: Calculation of Rotation-Vibration Line Strengths for Triatomic Molecules Using a Variational Approach. Application to the Fundamental Bands of CH2J. Mol. Spectrosc. 132, 429-457 (1988). DOI:  10.1016/0022-2852(88)90338-4

36. Per Jensen: A Variational Calculation of the Rotation-Vibration Energies for H2O From Ab Initio Data, J. Mol. Structure, 190, 149-161 (1988).   DOI:     10.1016/0022-2860(88)80280-1

35. Per Jensen: Hamiltonians for the Internal Dynamics of Triatomic Molecules, J. Chem. Soc., Faraday Trans. 284, 1315-1340 (1988). DOI: 10.1039/F29888401315

34. Per Jensen and P.R. Bunker: The Potential Surface and Stretching Frequencies of X3B1 Methylene (CH2) Determined from Experiment using the Morse Oscillator-Rigid Bender Internal Dynamics Hamiltonian, J. Chem. Phys. 89, 1327-1332 (1988). DOI:    10.1063/1.455184

33. Per Jensen and W.P. Kraemer: A Variational Calculation of the Rotation-Vibration Energies for CNC+ and CCN+J. Mol. Spectrosc. 129, 216-222 (1988). DOI: 10.1016/0022-2852(88)90271-8

32. Per Jensen and W.P. Kraemer: A Comparison of Perturbative and Variational Rotation-Vibration Energies Calculated for HOC+ and C3 Using the Nonrigid Bender and MORBID Hamiltonians, J. Mol. Spectrosc. 129, 172-185 (1988). DOI: 10.1016/0022-2852(88)90268-8

31. Per Jensen: A New Morse Oscillator-Rigid Bender Internal Dynamics (MORBID) Hamiltonian for Triatomic Molecules, J. Mol. Spectrosc. 128, 478-501 (1988). DOI: 10.1016/0022-2852(88)90164-6

30. Per Jensen, P.R. Bunker, and A.D. McLean: An Ab Initio Calculation of the Rotation-Vibration Energies of Singlet and Triplet NH2+ Using the MORBID Hamiltonian, Chem. Phys. Lett. 141, 53-57 (1987).  DOI: 10.1016/0009-2614(87)80091-X

29. A.D. McLean, P.R. Bunker, R.M. Escribano, and Per Jensen: An Ab Initio Calculation of ν1 and ν3 for Triplet Methylene (X3B1 CH2) and the Determination of the Vibrationless Singlet-Triplet Splitting Te (ã1A1), J. Chem. Phys. 87, 2166-2169 (1987).  DOI:  10.1063/1.453141

28. V. Špirko, A. Čejchan, and Per Jensen: A New Morse-Oscillator Based Hamiltonian for H3+: Explicit Expressions for Some Vibrational Matrix Elements, J. Mol. Spectrosc. 124, 430-436 (1987).  DOI: 10.1016/0022-2852(87)90152-4

27. P.R. Bunker, Per Jensen, W. P. Kraemer, and R. Beardsworth: Calculated Rotation-Vibration Energies for HOC+J. Mol. Spectrosc. 121, 450-452 (1987).  DOI: 10.1016/0022-2852(87)90061-0

26. J. Vojtík, V. Špirko, and Per Jensen: Vibrational Energy Levels of H3+ and Li3+ Based on the "Diatomics-in-Molecules" Potentials, Collection of Czechoslovak Chemical Communications 51, 2057-2062 (1986).  DOI:  10.1135/cccc19862057

25. P.R. Bunker, Per Jensen, W.P. Kraemer, and R. Beardsworth: The Potential Surface of X3B1 Methylene (CH2) and the Singlet-Triplet Splitting, J. Chem. Phys. 85, 3724-3732 (1986).  DOI:  10.1063/1.450944

24. W.P. Kraemer, B.O. Roos, P.R. Bunker, and Per Jensen: An Ab Initio Calculation of the Rotation-Vibration Energies of the X2Σ+ State of CCH Using the Nonrigid Bender Hamiltonian, J. Mol. Spectrosc. 120, 236-238 (1986).  DOI: 10.1016/0022-2852(86)90085-8

23. Per Jensen and M. Winnewisser: Prediction of Higher Inversion Energy Levels for Isocyanamide H2NNC, Collection of Czechoslovak Chemical Communications 51, 1373-1381 (1986).  DOI:    10.1135/cccc19861373

22. Per Jensen and J.W.C. Johns: The Infrared Spectrum of Carbon Suboxide in the ν6 Fundamental Region: Experimental Observation and Semirigid Bender Analysis, J. Mol. Spectrosc. 118, 248-266 (1986).  DOI: 10.1016/0022-2852(86)90239-0

21. Per Jensen and V. Špirko: A New Morse-Oscillator Based Hamiltonian for H3+: Calculation of Line Strengths, J. Mol. Spectrosc. 118, 208-231 (1986).  DOI:  10.1016/0022-2852(86)90236-5

20. R. Beardsworth, P.R. Bunker, Per Jensen, and W.P. Kraemer: Rotation-Vibration Energy Levels of H2O and C3 Calculated Using the Nonrigid Bender Hamiltonian, J. Mol. Spectrosc. 118, 50-63 (1986).  DOI:   10.1016/0022-2852(86)90222-5

19. R. Beardsworth, P.R. Bunker, Per Jensen, and W.P. Kraemer: Ab Initio Rotation-Vibration Energy Levels of HOC+ Calculated Using the Nonrigid Bender Hamiltonian, J. Mol. Spectrosc. 118, 40-49 (1986).  DOI:  10.1016/0022-2852(86)90221-3

18. Per Jensen and P.R. Bunker: The Nonrigid Bender Hamiltonian Using an Alternative Perturbation Technique, J. Mol. Spectrosc. 118, 18-39 (1986).  DOI: 10.1016/0022-2852(86)90220-1

17. Per Jensen, V. Špirko, and P. R. Bunker: A New Morse-Oscillator Based Rotation-Vibration Hamiltonian for H3+: Extension to H2D+ and D2H+J. Mol. Spectrosc. 115, 269-293 (1986) DOI: 10.1016/0022-2852(86)90047-0

16. V. Špirko, Per Jensen, P. R. Bunker, and A. Čejchan: The Development of a New Morse-Oscillator Based Rotation-Vibration Hamiltonian for H3+J. Mol. Spectrosc. 112, 183-202 (1985). DOI: 10.1016/0022-2852(85)90203-6

15. R. A. Phillips, R. J. Buenker, R. Beardsworth, P. R. Bunker, Per Jensen, and W. P. Kraemer: An Ab Initio Study of the Rotation-Vibration Energy Levels of GeH2 in the ã3B1 State, Chem. Phys. Lett. 118, 60-63 (1985). DOI:    10.1016/0009-2614(85)85266-0

14. M. Morillon-Chapey, G. Guelachvili, and Per Jensen: Analysis of the High Resolution Spectrum of the ν2 and ν5 Bands of Methyl Chloride, Canad. J. Phys. 62, 247-253 (1984).  DOI:  10.1139/p84-039

13. Per Jensen: C3O2 as a Semirigid Bender: The Degenerate νState, J. Mol. Spectrosc. 104, 59-71 (1984). DOI: 10.1016/0022-2852(84)90245-5

12. M. Krȩglewski and Per Jensen: Determination of the Skeletal Bending Potential Function for SiH3NCO from the Microwave Spectrum, J. Mol. Spectrosc. 103, 312-320 (1984). DOI: 10.1016/0022-2852(84)90058-4

11. Per Jensen: HCNO as a Semirigid Bender: The Degenerate ν4 State, J. Mol. Spectrosc. 101, 422-439 (1983).  DOI:   10.1016/0022-2852(83)90146-7

10. B. P. Winnewisser and Per Jensen: The Infrared Spectrum of Fulminic Acid, HCNO, in the ν4 Fundamental Region, J. Mol. Spectrosc. 101, 408-421 (1983).  DOI:  10.1016/0022-2852(83)90145-5

9. Per Jensen: The Nonrigid Bender Hamiltonian for the Calculation of Rotation-Vibration Energies for a Triatomic Molecule, Computer Physics Reports 1, 1-55 (1983).   DOI:   10.1016/0167-7977(83)90003-5

8. Per Jensen and P.R. Bunker: The Application of the Nonrigid Bender Hamiltonian to a Quasilinear Molecule, J. Mol. Spectrosc. 99, 348-356 (1983).  DOI: 10.1016/0022-2852(83)90319-3

7. P. R. Bunker and Per Jensen: A Refined Potential Energy Surface for the X3B1 Electronic State of Methylene CH2J. Chem. Phys. 79, 1224-1228 (1983).   DOI: 10.1063/1.445927

6. Per Jensen, P.R. Bunker, and A.R. Hoy: The Equilibrium Geometry, Potential Function and Rotation-Vibration Energies of CH2 in the X3BGround State, J. Chem. Phys. 77, 5370-5374 (1982).   DOI: 10.1063/1.443785

5. Per Jensen and P. R. Bunker: The Geometry and Out-of-Plane Bending Potential Function of Thioformaldehyde in the Ã1A2 and ã3A2 Electronic States, J. Mol. Spectrosc. 95, 92-100 (1982).  DOI: 10.1016/0022-2852(82)90241-7

4. Per Jensen and P. R. Bunker: The Geometry and Inversion Potential Function of Formaldehyde in the Ã1A2 and ã3A2 Electronic States, J. Mol. Spectrosc. 94, 114-125 (1982).  DOI: 10.1016/0022-2852(82)90298-3

3. Per Jensen and S. Brodersen: The ν5 Raman Band of CH3CD3J. Raman Spectrosc. 12, 295-299 (1982). DOI: 10.1002/jrs.1250120318

2. Per Jensen, S. Brodersen, and G. Guelachvili: Determination of A0 for CH335Cl and CH337Cl from the νInfrared and Raman Bands, J. Mol. Spectrosc. 88, 378-393 (1981).  DOI: 10.1016/0022-2852(81)90188-0

1. J. Kauppinen, Per Jensen, and S. Brodersen: Determination of the BConstant for C6H6J. Mol. Spectrosc. 83, 161-174 (1980).  DOI:  10.1016/0022-2852(80)90318-5

 

 

Electronic publications / Elektronische Veröffentlichungen

Jensen, Per:
Theoretische Chemie III: Methoden der Quantenchemie.
Gesamtes Dokument (pdf) (ca. 0,9 MB)
Jensen, Per:
Theoretische Chemie IV: Theoretische Spektroskopie.
Gesamtes Dokument (pdf) (ca. 1,0 MB)
Jensen, Per:
Mathematik A für Chemiker und Lebensmittelchemiker.
Gesamtes Dokument (pdf) (ca. 1,3 MB)
Jensen, Per:
Mathematik B für Chemiker.
Gesamtes Dokument (pdf) (ca. 571 kB)
Jensen, Per:
Einführung in die Theoretische Chemie - Vorlesungsskript
Gesamtes Dokument (pdf) (ca. 575 kB)
Jensen, Per:
Spektroskopische Methoden - Vorlesungen (Englisch)
Spectroscopic Methods - Lectures (English)
SM_Lecture1.pdf (pdf) (ca. 0.6 MB) | SM_Lecture2.pdf (pdf) (ca. 0.2 MB) | SM_Lecture3.pdf (pdf) (ca. 0.2 MB) | SM_Lecture4.pdf (pdf)(ca. 0.2 MB) | SM_Lecture5.pdf (pdf) (ca. 0.4 MB) | SM_Lecture6.pdf (pdf) (ca. 0.6 MB) | SM_Lecture7.pdf (pdf) (ca. 0.4 MB) | SM_Lecture8.pdf (pdf)(ca. 0.3 MB) | SM_Lecture9.pdf (pdf) (ca. 0.4 MB) | SM_Lecture10.pdf (pdf) (ca. 0.4 MB) | SM_Lecture11.pdf (pdf) (ca. 0.3 MB) | SM_Lecture12.pdf (pdf) (ca. 0.8 MB) | SM_Lecture13.pdf (pdf) (ca. 0.7 MB) | SM_Lecture14.pdf (pdf)(ca. 0.7 MB) | SM_Lecture15.pdf (pdf) (ca. 0.3 MB) |
Jensen, Per:
Molekülsymmetrie und Spektroskopie - Vorlesungen (Englisch)
Molecular Symmetry and Spectroscopy - Lectures (English)
mss-lecture1.pdf (pdf) (ca. 2.2 MB) | mss-lecture2.pdf (pdf)(ca. 1.1 MB) | mss-lecture3.pdf (pdf) (ca. 0.66 MB) | mss-lecture4.pdf (pdf) (ca. 1.1 MB) | mss-lecture5.pdf (pdf) (ca. 2.6 MB) | mss-lecture6.pdf (pdf) (ca. 0.6 MB) | mss-lecture7.pdf (pdf) (ca. 0.6 MB) | mss-lecture8.pdf (pdf) (ca. 0.5 MB) | mss-lecture9.pdf (pdf) (ca. 0.5 MB) | mss-lecture10.pdf (pdf) (ca. 0.5 MB) |

 

 

Massive Open Online Course / Internet-Vorlesung

1. Per Jensen: Fundamentals of Molecular Symmetry – The Lecture Course;   DOI: 10.13140/2.1.1546.8481

 

 

 

Conference proceedings / Tagungsband-Beiträge

3. H. Schmiedt, S. Schlemmer, and Per Jensen: The Superrotor Model for the Rovibrational Motion of CH5+, An Extremely Flexible Molecule, Proceedings 2018, 2(1), 62-62 (2018); DOI: 10.3390/proceedings2010062

2. P. R. Bunker, W. P. Kraemer, T. Hirano, and Per Jensen: The Renner Effect in Triatomic Molecules, in: "International Conference of Computational Methods in Sciences and Engineering 2009", AIP Conf. Proc. 1504, 467-479 (2012); DOI: 10.1063/1.4771743

1. S. N. Yurchenko, W. Thiel, and Per Jensen: Rotation-Vibration Energy Level Cluster Formation in Three- and Four-atomic Molecules, in: "International Conference of Computational Methods in Sciences and Engineering 2009", AIP Conf. Proc. 1504, 491-494 (2012); DOI: 10.1063/1.4771747

 

 

 

Other Publications / Sonstige Veröffentlichungen

8. Per Jensen and S. N. Yurchenko: Theoretische Rotations-Schwingungsspektroskopie an der Bergischen Universität Wuppertal, G.I.T. Labor-Fachzeitschrift 1/2013, 8-9.

7. Per Jensen, Š. Urban, K. M. T. Yamada, and J. T. Hougen: PRAHA2008: The 20th International Conference on High Resolution Molecular Spectroscopy, Prague, Czech Republic, September 2-6, 2008, J. Mol. Spectrosc. 256, 1-3 (2009).

6. Per Jensen and Š. Urban: PRAHA2006: The 19th International Conference on High Resolution Molecular Spectroscopy, Prague, Czech Republic, August 29-September 2, 2006, J. Mol. Spectrosc. 243, 103-104 (2007).

5. Š. Urban, T. F. Giesen, and Per Jensen: Biography of Professor Gisbert Winnewisser, J. Mol. Structure 795, 1-3 (2006).

4. Per Jensen, Frank C. De Lucia, and Koichi M. T. Yamada: Brenda and Manfred Winnewisser, J. Mol. Structure 695-696, 1-3 (2004).

3. Per Jensen: Manfred Winnewisser zum 65. Geburtstag, Bunsen-Magazin 1/99, 33-35 (1999).

2. Per Jensen: Spektroskopie mit dem Supercomputer: Das ungewöhnliche Rotations-Schwingungsspektrum des Moleküls H2Se, LOGIN (information newsletter published by the computing center of the Justus Liebig University Giessen, ISSN 0174 0067) 2/93, 50-68 (1993).

1. Per Jensen: High Resolution FT-IR Spectroscopy with a PC. Processing Data from a BRUKER IFS120 HR High Resolution Spectrometer Using a Personal Computer, BRUKER Report 1/1989, 6-9 (1989).