ASMS 2020 - Reboot (online Veranstaltung)

• ASMS2020 MP299 HiKEReactantIons.pdfInvestigations on the formation of positive and negative reactant ions in High Kinetic Energy Ion Mobility Spectrometry (HiKE-IMS) by HiKE-IMS-MS
• ASMS2020 MP300 HiKESimulation.pdfChemical Reaction and Transport Simulations of Positive Reactant Ions in High Kinetic Energy IMS (HiKE-IMS)
• ASMS2020 TP266 ExperimentalNanodroplets.pdfExperimental Investigation of Charged Nanodroplets in MS Transfer Stages originating from ESI plumes
• ASMS2020 TP268 SPARTAIonMobility.pdfIntegrated Simulation of Rarefied Gas Dynamics and Ion Transport with a DSMC Method
• ASMS2020 TP278 NanodropletsMDSimulation.pdfSimulations of Collision Induced Evaporation Processes of Nanodroplets in MS Inlet Stages
• ASMS2020 WP214 ChemicalModificationMatrixGas.pdfChemical modification of the matrix gas: Comparison experiments with ESI-MS and ESI-IMS-MS
• ASMS2020 WP347 IDSimF.pdfIon Dynamics Simulation Framework (IDSimF): An Open Source Trajectory Simulation Framework
• ASMS2020 WP349 IonTransportIntoQIT.pdfTransport of Plasma generated Ions into a Fourier Transform Quadrupole Ion Trap using viscous gas flows
• ASMS2020 WP352 PlasmaIonization.pdfHydrogen plasma based chemical ionization source for GC-MS

Advances in hydrogen molecular ions: H3+, H5+ and beyond, The Royal Society, London, UK, January 21-22

• The Extended Molecular Symmetry Group G36(EM) and the Theoretical Spectroscopy of EthanePer Jensen, Thomas Mellor, Barry Mant, Sergey Yurchenko

DGMS 2019 - Rostock (52. Jahrestagung der deutschen Gesellschaft für Massenspektrometrie)

• DGMS2019 IMS clusterchemistry.pdfEffects of physical and chemical interactions in ion mobility spectrometry (IMS) depending on the reduced field strength
• DGMS2019 ion solvent interactions.pdf Ion-solvent interactions in nanoESI-MS: Comparison of different ion transfer settings and analyzer systems
• DGMS2019 kinetic energy distributions.pdfKinetic energy distribution measurements for ion dynamics studies

35. Annual Symposium of Chemical Physics 2019, Waterloo, Canada

• A First Principles Model of Differential Ion Mobility: The Effect of Ion-Solvent Clustering
• Investigations on the field dependence of cluster dynamics using High Kinetic Energy IMS (HiKE-IMS)

AnalytiX-2019 (The 7th Annual Conference of Analytics), Singapore, April 12-14

Per Jensen: "Making progress in understanding the rotation-vibration spectra of extremely flexible molecules," invited lecture.

Slides (pdf)

ASMS 2019 - Atlanta

• ASMS2019 MP258.pdfSurface interaction of selected transition metals and semiconductors with H2 plasma generated species
• ASMS2019 MP284.pdfQuasi-harmonic approximation for the thermochemical stability of small proton bound clusters – a theoretical study
• ASMS2019 ThP297.pdfChemical Modification and Cluster Dynamics in High Kinetic Energy IMS (HiKE-IMS)
• ASMS2019 ThP299.pdfSimulation of Cluster Dynamics in High Kinetic Energy IMS (HiKE­IMS)
• ASMS2019 TP290.pdfSimulation of charged Nanodroplets in MS-Transfer-Stage Ion-Guides
• ASMS2019 TP293.pdfThe role of trace constituents for the sustained operation of corona discharges in APCI
• ASMS2019 TP296.pdfCharacterization of Ion-Molecule Reactions within Quadrupole Ion Trap Mass Analyzers by Chemical Modification of the Collision Gas
• ASMS2019 TP453.pdfDevelopment of a flexible GC transfer line for a field-deployable GC-EI/MS
• ASMS2019 TP484.pdfSimulation of isotherm HiKE­IMS − MS Transfer Stage
• ASMS2019 TP521.pdfChemical Kinetics and Ion Transport Simulations: Cluster Dynamics in Differential Ion Mobility Spectrometry
• ASMS2019 WP314.pdfProgress in the development of a plasma based CI-source for GC-MS
• ASMS2019 WP434.pdfCharacterization of Quadrupole Mass Filters regarding elevated entrance ion currents

74th International Symposium on Molecular Spectroscopy, Champaign-Urbana, Illinois, USA, June 17-21

• NON-RESONANT RAMAN SPECTRA OF THE METHYL RADICAL 12CH3 SIMULATED IN VARIATIONAL CALCULATIONSAHMAD Y. ADAM, ANDREY YACHMENEV, SERGEI N. YURCHENKO, PER JENSEN
• A VARIATIONALLY COMPUTED T=300 K LINE LIST FOR THE METHYL RADICAL CH3AHMAD Y. ADAM, ANDREY YACHMENEV, SERGEI N. YURCHENKO, PER JENSEN

The XIX Symposium on High Resolution Molecular Spectroscopy, Nizhny Novgorod, Russia, July 1-5

• The Planck constant and its unitsP. R. Bunker, Per Jensen, I. M. Mills

Twenty-sixth Colloquium on High-Resolution Molecular Spectroscopy, Dijon, France, August 26-30

• VARIATIONAL CALCULATION OF A T = 1500 K LINE LIST FOR THE METHYL RADICAL CH3, AND SIMULATION OF THE RAMAN SPECTRUM.ANDREY YACHMENEV, SERGEY N. YURCHENKO, AHMAD Y. ADAM, PER JENSEN
• JON HOUGEN: SCIENTIFIC LIFE IN PICTURES.SPECTROSCOPIC COMMUNITY, I. KLEINER, V. BOUDON, C. RICHARD, P. JENSEN, S. N. YURCHENKO
• THE EXTENDED MOLECULAR SYMMETRY GROUP G36(EM) AND THE THEORETICAL SPECTROSCOPY OF ETHANE.T. MELLOR, S. YURCHENKO, PER JENSEN

Thirty Fifth Annual Symposium on Chemical Physics at the University of Waterloo, Waterloo, Ontario, Canada, November 1-3

• The Planck constant and its unitsP. R. Bunker, I. M. Mills and Per Jensen. Invited talk given by P. R. Bunker.

ASMS 2018 - San Diego

• ASMS2018 MP376 EvaluationOfKineticEnergyDistributions.pdfMP 376 Evaluation of kinetic energy distributions in atmospheric pressure ionization mass spectrometers (API-MS)
• ASMS2018 MP382 SimulationsOfIonTrajectoriesInBesselBox.pdfMP 382 Simulation of ion trajectories in an electrostatic Bessel-box type energy filter
• ASMS2018 ThP499 KineticallyControlled chemical ionization setup.pdfThP 499 Progress in the development of a kinetically controlled chemical ionization setup
• ASMS2018 ThP520 EvaluationOfSpaceChargeEffectsInQITs.pdfThP 520 Evaluation of Space Charge Effects in Scanning- vs Fourier Transform (FT)-Quadrupole Ion Traps (QITs)
• ASMS2018 ThP521 SimulationOfCollisional InteractionsOfTrappedIons.pdfThP 521 Simulation of collisional interactions of background gas mixtures with trapped ions
• ASMS2018 TP192 Ab-InitioApproachToDifferentialMobilities.pdfTP 192 Ab-initio approach to differential mobilities - structures, energies and collision cross sections of clustered tetraalkylammonium ions
• ASMS2018 TP387 MultipleCoronaH2-N2IonSource.pdfTP 387 Multiple-corona H2/N2 ion source for AP GC-MS coupling stages
• ASMS2018 WP304 InvestigationOfFragmentationProcessesInAPLI.pdfWP 304 Investigation of fragmentation processes during atmospheric pressure laser ionization
• ASMS2018 WP307 IonIolventInteractionsInNanoESI-MS.pdfWP 307 Ion-solvent interactions in nanoESI-MS: Characterization of charge depletion and charge conservation (supercharging) processes
• ASMS2018 WP464 InfluenceOfClusterReactionsInDMS.pdfWP 464 Influence of cluster/de-cluster reactions on ion separation in differential mobility spectrometry (DMS) in dependence of the analyte structure
• ASMS2018 WP467 ChemicalKineticAndIon TransportSimulations.pdfWP 467 Chemical kinetic and ion transport simulations: Temperature dependence of ion mobility and its impact on cluster equilibria

30th ASMS Sanibel Conference on Mass Spectrometry January 25 - 28, St. Petersburg, Florida, USA

• Thermodynamic and kinetic investigation of proton transfer reactions between amines and solvent clusters

73rd International Symposium on Molecular Spectroscopy, Champaign-Urbana, Illinois, USA, June 18-22

• COMPUTATIONAL SPECTROSCOPY OF NCS IN THE RENNER-DEGENERATE ELECTRONIC STATE X̃ 2ΠJENS FREUND, SARAH CAROLL GALLEGUILLOS KEMPF, PER JENSEN, UMPEI NAGASHIMA, TSUNEO HIRANO
• RO-VIBRATIONALLY AVERAGED STRUCTURE OF X̃ 2Π NCS: RE-INTERPRETATION OF THE B0 VALUES TSUNEO HIRANO, UMPEI NAGASHIMA, PER JENSEN
• ARE LINEAR MOLECULES REALLY LINEAR? I. THEORETICAL PREDICTIONS TSUNEO HIRANO, UMPEI NAGASHIMA, PER JENSEN
• ARE LINEAR MOLECULES REALLY LINEAR? II. RE-INTERPRETATION OF EXPERIMENTAL B0-VALUES.TSUNEO HIRANO, UMPEI NAGASHIMA, PER JENSEN
• DIPOLE MOMENTS OF LINEAR MOLECULES: A COMPUTATIONAL MOLECULAR SPECTROSCOPY STUDYHUI LI, PER JENSEN, TSUNEO HIRANO

BILBAO2018: The 25th International Conference on High Resolution Molecular Spectroscopy, Bilbao, Spain, September 3-7

• Empirical potential energy surface and bending angle probability densities for the electronic ground state of HCO+Giulia Winterhoff, Sarah G. Kempf, Per Jensen, P. R. Bunker

12th Annual Meeting of the Japan Society for Molecular Science, Fukuoka International Congress Center, Japan, September 10-13

• 計算分子分光学： 　振動・回転平均構造における直線3原子分子の 　双極子能率 (Computational molecular spectroscopy: dipole moment of a linear triatomic molecule in the ro-vibrationally averaged structure)長嶋雲兵 (Umpei Nagashima)，Hui Li，Per Jensen、平野恒夫 (Tsuneo Hirano)

ASMS 2017 - Indianapolis

• ASMS2017 MP245 AHaack.pdfTheoretical studies on reactions of gas phase ions with water covered α-quartz surfaces
• ASMS2017 ThP188 YB.pdfA FT 3D Ion Trap with in-trap electron ionization and pulsed gas inlet: transient pressure profile and space charge induced effects
• ASMS2017 ThP189 CP BtreeQIT.pdfIon dynamics simulation: Space charge effects in a fourier transform 3D-ion trap (FT-ion trap)
• ASMS2017 THP190 MT.pdfSystematic studies of the impact of chemical modifiers on the ion population observed with nESI MS
• ASMS2017 ThP191 WW BtreeQuad.pdfFast space charge simulations: Simulation of ion – ion and background gas interaction in a linear quadrupole
• ASMS2017 ThP192 FS DMS.pdfEffects of chemical dynamics and clustering reactions of chemical modifiers with analyte ions in differential mobility spectrometry (DMS)
• ASMS2017 TP422 HK.pdfH2 plasma for the generation of protonation reagents with a standard APPI power supply
• ASMS2017 TP424 KK.pdfEvaluation of a kinetically controlled chemical ionization setup
• ASMS2017 TP425 NH.pdfImprovement of μpCI for proton transfer reactions: a chambered ion source design for suppression of water-cluster

Symmetry 2017 - The First International Conference on Symmetry, Barcelona, Spain, October 16–18

• The Superrotor Model for the Rovibrational Motion of CH5+, an Extremely Flexible MoleculeHanno Schmiedt, Stephan Schlemmer, and Per Jensen

4th International Conference on Physical and Theoretical Chemistry, Dublin, Ireland, September 18-19

Per Jensen: “Making headway in understanding the rotation-vibration spectrum of protonated methane CH₅⁺ - an extremely flexible molecule,” invited "keynote talk".

Slides (pdf)

Twenty-fifth Colloquium on High-Resolution Molecular Spectroscopy, Helsinki, Finland, August 20-25

Per Jensen: “Theoretical rovibronic energies of pathological molecules: Extreme flexibility and Born-Oppenheimer breakdown,” invited plenary lecture.

Slides (pdf)

72nd International Symposium on Molecular Spectroscopy, Champaign-Urbana, Illinois, USA, June 19-23

• A SEMI-CLASSICAL APPROACH TO THE CALCULATION OF HIGHLY EXCITED ROTATIONAL ENERGIES FOR ASYMMETRIC-TOP MOLECULESHanno Schmiedt, Stephan Schlemmer, Sergei N. Yurchenko, Andrei Yachmenev, Per Jensen

TROVE Developers' meeting, Center for Free-Electron Laser Science, DESY, Hamburg, Germany, February 21-23

Per Jensen: “Towards higher rotational excitation: TROVE goes semi-classical,” invited lecture.

Slides (pdf)

Ahmad Adam: “Theoretical Spectroscopy of the Methyl Radical.” 

Slides (pdf)

ASMS 2016 - San Antonio

• ASMS2016 TP 197 chemicalDMSsimulation.pdfIs differential mobility chemically driven? Evidence and simulations for chemical effects as a primary separation factor in DMS
• ASMS2016 TP 417 FTQIT.pdfDevelopment and characterization of an FT-QIT with in situ electron ionization for residual and trace gas analysis
• ASMS2016 WP 428 DAPPIdevelopment.pdfDevelopment and Optimization of an inlet system for Desorption Atmospheric Pressure Photoionization – Mass Spectrometry (DAPPI-MS)
• ASMS2016 ThP 282 microPlasmaSource.pdfAb initio studies on the mechanisms of ipso-substitution observed in DA-APPI
• ASMS2016 ThP 309 nESIChemicalModifiers.pdfImpact of chemical modifiers on the cluster chemistry during electrospray ionization
• ASMS2016 ThP 317 AbInitioIpsoSubstitution.pdfAb initio studies on the mechanisms of ipso-substitution observed in DA-APPI
• ASMS2016 ThP 318 photoelectricEffects.pdfCombined Study of Ionic Processes on Surfaces: Photoelectric and Photocatalytic Effects
• ASMS2016 ThP 319 NH3Production.pdfProduction of NH3 in N2-Corona Discharges and 63Ni-Sources: Unequivocal Identification and Quantification

2nd Traditional Mini-Symposium on Theoretical and Experimental Spectroscopy, Physical and Theoretical Chemistry, University of Wuppertal, December 12.

Per Jensen (Bergische Universität Wuppertal): "SbH₂ and BiH₂ revisited: An ab initio study of the Renner Effect, Spin-Orbit Coupling, Local Mode Vibrations and Rovibronic Energy Level Clustering in SbH₂."
Slides (pdf)   Video (mp4)

Ahmad Adam (Bergische Universität Wuppertal): "Theoretical Infrared Intensities of the Methyl Radical."
Slides (pdf)

Hanno Schmiedt (Universität zu Köln): "Schur-Weyl duality in molecular physics: A new glance at nuclear spin states in molecules."
Slides (pdf)   Video (mp4) 

Stefan Brackertz (Universität zu Köln): "From Lines to States without a Model."
Slides (pdf)   Video (mp4)

Pascal Stahl (Universität Kassel): "The Fast Scanning mm-Wave Spectrometer."  
Slides (pdf)    Video (mp4)

Daniel Witsch (Universität Kassel): "Ro-Vibrational Spectroscopy of Si₂C."
Slides (pdf)    

PRAHA2016: The 24th International Conference on High Resolution Molecular Spectroscopy, Prague, Czech Republic, August 30-September 3

• An ab initio study of SbH2 and BiH2: The Renner Effect, Spin-Orbit Coupling, Local Mode Vibrations and Rovibronic Energy Level Clustering in SbH2Bojana Ostojic, Peter Schwerdtfeger, P. R. Bunker, Per Jensen
• An Empirical Potential Energy Surface for the Electronic Ground State of HCO+Giulia Winterhoff, Sarah C. Galleguillos Kempf, Tsuneo Hirano, Per Jensen

71st International Symposium on Molecular Spectroscopy, Champaign-Urbana, Illinois, USA, June 20-24

• An ab initio study of SbH2 and BiH2: The Renner Effect, Spin-Orbit Coupling, Local Mode Vibrations and Rovibronic Energy Level Clustering in SbH2Per Jensen, P. R. Bunker, Peter Schwerdtfeger, Bojana Ostojic
• SYMMETRY IN THE GENERALIZED ROTOR MODEL FOR EXTREMELY FLOPPY MOLECULESHanno Schmiedt, Stephan Schlemmer, Per Jensen
• ON THE LOWEST RO-VIBRATIONAL STATES OF PROTONATED METHANE: EXPERIMENT AND ANALYTICAL MODELStephan Schlemmer, Oskar Asvany, Per Jensen, Hanno Schmiedt

99th Canadian Chemistry Conference and Exhibition, Halifax, Nova Scotia, Canada, June 5-9

• The Renner Effect, Spin-orbit Coupling, Local Mode Vibrations and Rovibronic Energy Level Clustering in SbH2P. R. Bunker, Per Jensen, B. Ostojic, P. Schwerdtfeger

22nd International Symposium on Plasma Chemistry (ISPC) 2015, Antwerpen, Belgien

• Spectroscopy of a miniature spark discharge in the range of 40 - 1200 nmHendrik Kersten, Sebastian Winkelmann, Sebastian Klopotowski, Thorsten Benter

ASMS annual Meeting 2015 - St. Louis

• MP047.pdfSpectroscopy of a windowless, electron-beam-pumped excimer lamp (EBEL) in the VUV spectral region of 50 – 200 nm
• MP053.pdfDevelopment of a dual-mode laminar flow ion source for APPI- and APLI-GC-MS
• MP054.pdfConcept study for a sensitive and versatile chemical ionization time of flight instrument
• MP060.pdfA helium metastable seeded secondary plasma in the low mbar pressure regime – characterization and evaluation for mass spectrometric applications
• MP061.pdfMicro-plasma based pulsed direct charge transfer stage coupled to a FT-IT mass spectrometer
• MP063.pdfProton Transfer Mass Spectrometry (PT-MS) with H3+ as reagent ions
• MP069.pdfnESI and cAPCI applications of a controlled ion activation stage (“ion tunnel”)
• TP056.pdfIntegrated Ion Dynamics Simulations in OpenFOAM: Flow, Transport, Chemical Reactions, and Space-Charge
• WP423.pdfOn the ionization mechanism in atmospheric pressure negative ion mass spectrometry – the role of ozone and CO2 –

AMOC 2015, Anharmonicity in medium-sized molecules and clusters", Madrid, Spain, April 26-30

Bojana Ostojic, Per Jensen, Peter Schwerdtfeger, P. R. Bunker: "Ab initio calculations for the group-2 hypermetallic oxides," invited lecture given by Per Jensen.

Slides (pdf)

Ahmad Adam, Per Jensen, Sergei N. Yurchenko, Andrei Yachmenev: "Theoretical Study of the Magnetic Properties of the Methyl Radical"

 Poster (pdf)

Hyperspectral Science and Technology Workshop 2015 , University of Lethbridge, Alberta, Canada, November 4-5

Per Jensen:  "Simulation of rovibronic spectra for Renner-interacting electronic states," invited lecture.

Slides (pdf)

HRMS 2015: 24th Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24-28

• THE PREDICTED SPECTRUM OF THE SbH2 MOLECULE IN ITS LOWEST TWO RENNER-DEGENERATE ELECTRONIC STATES X2B1 AND A2A1Bojana Ostojic, P. R. Bunker, Peter Schwerdtfeger, Per Jensen
• Computational Molecular Spectroscopy of NCS in the X2Π Electronic Ground StateJens Freund, Per Jensen, Tsuneo Hirano
• EMPIRICAL POTENTIAL ENERGY SURFACES FOR THE ELECTRONIC GROUND STATES OF BeOH, C3 and HCO+I. Forsung Chi Mbapeh, S. C. Galleguillos Kempf, I. Keppeler, G. Winterhoff, P. Jensen, Renia Diamantopoulou, J. Tennyson, Sergei N. Yurchenko, T. Hirano

70th International Symposium on Molecular Spectroscopy, Champaign-Urbana, Illinois, USA, June 22-26

• SYMMETRY BEYOND PERTURBATION THEORY: FLOPPY MOLECULES AND ROTATION-VIBRATION STATESHanno Schmiedt, Per Jensen, Stephan Schlemmer

ASMS annual Meeting 2014 - Baltimore

• MP299 T.J.Kauppila.pdfIonization of gaseous compounds in direct and dopant-assisted atmospheric pressure photoionization
• MP315 Th.Benter.pdfAtmospheric pressure laser ionization with a novel highly sensitive atmospheric pressure ionization interface for gas-chromatography-mass spectrometry
• MP524 V.Derpmann.pdfApplication of capillary Atmospheric Pressure Electron Capture Ionization (cAPECI) for the ultra-sensitive detection of explosives, drugs and environmental toxins
• MP684 H.Kersten.pdfProgress in the development of a GC-APPI source with femto-gram sensitivity

ASMS annual Meeting 2014 - Baltimore (Thursday Session)

• TP731 Klopotowski 01.pdfValidation of Computational Fluid Dynamic Simulations with Background Oriented Schlieren Technique
• TP732 D.Mueller 01.pdfInvestigation of Gas- and Ion-Dynamics in Heated Glass and Metal Inlet Capillaries: Work in progress ...
• TP733 S.Klee 01.pdfFundamental ion-molecule reaction studies at elevated ion temperature and analytical application of an ion activation stage (“ion tunnel”)
• TP734 Y.Brachthaeuser 01.pdfDevelopment of a compact multiple-ionization-stage TOF mass analyzer system for trace component monitoring within chemically challenging process gas matrices
• TP735 W.Wissdorf 01.pdfIntegrated ion trajectory simulations in OpenFOAM, an open source framework for complex numerical simulations
• TP736 S.Albrecht 01.pdfAn efficient ion funnel operating at 100 mbar background pressure
• TP737 Klopotowski2 01.pdfMeasurements of electronically excited noble gas species radiating in the far VUV

BOLOGNA2014: The 23rd International Conference on High Resolution Molecular Spectroscopy, Bologna, Italy, September 2-6

• Ab initio CALCULATIONS FOR THE GROUP 2 M2O HYPERMETALLIC OXIDESB. Ostojic, Per Jensen, Peter Schwerdtfeger, P.R. Bunker

69th International Symposium on Molecular Spectroscopy, CHAMPAIGN-URBANA, ILLINOIS, JUNE 16-20

• VIBRATIONAL AVERAGING OF THE ISOTROPIC HYPERFINE COUPLING CONSTANTS FOR THE METHYL RADICALAHMAD ADAM, PER JENSEN, ANDREY YACHMENEV, SERGEI N. YURCHENKO
• ROTATIONAL SPECTRUM OF SO3 AND THEORETICAL EVIDENCE FOR THE FORMATION OF ROTATIONAL ENERGY LEVEL CLUSTERS IN ITS VIBRATIONAL GROUND STATEDANIEL S UNDERWOOD, SERGEI N. YURCHENKO, JONATHAN TENNYSON, PER JENSEN

7th International Conference on Advanced Vibrational Spectroscopy, Kobe, Japan

Per Jensen: "Local modes in vibrational (and rotational) spectroscopy", plenary invited lecture  at ICAVS-7: The 7th International Conference on Advanced Vibrational Spectroscopy, Kobe, Japan, August 25-30, 2013.

Slides (pdf)

2013 CESRA workshop, Prague, Czech Republic

Per Jensen: "Molecular Spectroscopy and ALMA,"  2013 CESRA workshop, Prague, Czech Republic, June 24-29, 2013.

Slides (pdf)

ASMS annual Meeting 2013 - Minneapolis

• MP274.pdfA Novel Corona Discharge Source with Liquid Point Electrodes
• MP275.pdfGC-MS Performance of a Novel Capillary Atmospheric Pressure Chemical Ionization (cAPCI) Source
• MP276.pdfSpark discharge VUV lamps for Atmospheric Pressure Ionization – Mass spectrometric investigations of the plasma chemistry
• MP277.pdfProgress in characterizing capillary Atmospheric Pressure Electron Capture Ionization (cAPECI)
• MP278.pdfCharging effects in ion transfer capillaries: An in-depth study
• MP279.pdfSimblend - an open source visualization toolchain for SIMION
• MP280.pdfField driven chemical effects in API: Numerical modeling of the ion temperature at atmospheric and intermediate pressure with SIMION-RS
• MP281.pdfVisualization and optimization of the fluid dynamics in high- flow atmospheric pressure ion sources, using the Background Oriented Schlieren method (BOS)
• MP284.pdfProgress in the development of capillary Atmospheric Pressure Ionization Methods (cAPI)

68th International Symposium on Molecular Spectroscopy, Columbus, Ohio, U.S.A., June 17-21

• THE RENNER EFFECT IN THE X2A'' AND A2A' ELECTRONIC STATES OF HSO/HOSROMAN I. OVSYANNIKOV, PER JENSEN, TSUNEO HIRANO

C3 Mini-Symposium, Cologne, Germany

Per Jensen: "Is CCC really linear? Early theoretical studies," invited lecture at the "C₃ Mini-Symposium", I. Physikalisches Institut, Universität zu Köln, Cologne, Germany, March 1-2, 2012.

Slides (pdf)

22nd UCL Astrophysics Colloquium: Opacities in Cool Stars and Exoplanets, Windsor, UK

Per Jensen: "The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states X¹Σ_g⁺and a³Σ_u⁺",  "22nd UCL Astrophysics Colloquium: Opacities in Cool Stars and Exoplanets",  Cumberland Lodge, The Great Park, Windsor, UK, July 2-5, 2012.

Slides (pdf)

International Workshop on Spectroscopic Signatures of Molecular Complexes/Ions in our Atmosphere and Beyond, Varanasi, India

Per Jensen: "Torsional splittings and anomalous intensities in HSOH," "plenary keynote lecture" at the 2nd International Workshop on Spectroscopic Signatures of Molecular Complexes/Ions in our Atmosphere and Beyond, Banares Hindu University, Varanasi, India, February 7-10, 2012.

Slides (pdf)

ASMS annual Meeting 2012 - Vancouver

• MP29-667.pdfCharacterization of API-MS Inlet Capillary Flow: Examination of Transfer Times and Choked Flow Conditions
• MP29-668.pdfProgress in VUV measurements of a spark discharge lamp used for capillary Atmospheric Pressure Photoionization (cAPPI)
• MP29-670.pdfNumerical Simulation of Reacting Flows of Ions at Atmospheric Pressure - the Reactant Ion Peak in IMS
• MP29-671.pdfInvestigation of Ion Transfer Times in a commercial Atmospheric Pressure Ion Source
• MP29-674.pdfDevelopment of a New Ion Source for Capillary Atmospheric Pressure Electron Capture Ionization (cAPECI)
• MP29 673.pdfInvestigation of reactant ion transmission efficiency of a tubular APCI-configuration in Laminar Flow Ion Sources (LFIS)
• MP29 676 low res.pdfDevelopment of a dielectric barrier discharge source for efficient generation of charged water clusters at atmospheric pressure
• Mp29-672.pdfOn the Ionization Mechanism in Negative Ion Atmospheric Pressure Mass Spectrometry and the Role of Cluster Formation

67th International Symposium on Molecular Spectroscopy, Columbus, Ohio, U.S.A., June 18-22

• THE PREDICTED INFRARED SPECTRUM OF THE HYPERMETALLIC MOLECULE CaOCa IN ITS LOWEST TWO ELECTRONIC STATES X1Sigmag+ AND a3Sigmau+B. OSTOJIC, P. R. BUNKER, P. SCHWERDTFEGER, ARTUR GERTYCH, PER JENSEN

PRAHA2012: 22nd International Conference on High Resolution Molecular Spectroscopy, Prague, Czech Republic, September 4-8

• The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states X1Σg and a3ΣuPer Jensen, B. Ostojić, P. R. Bunker, P. Schwerdtfeger, Artur Gertych
• Large Amplitude Bending Motion: A Computational-Molecular-Spectroscopy ApproachTsuneo Hirano, Umpei Nagashima, Per Jensen

The Fifth Asian Pacific Conference of Theoretical and Computational Chemistry, Rotorua, New Zealand

Per Jensen: "Theoretical Simulations of the Rovibronic Spectra for Small Molecules," "keynote lecture" at APCTCC 2011: The Fifth Asian Pacific Conference of Theoretical and Computational Chemistry, Rotorua, New Zealand, December 9-13, 2011.

Slides (pdf)

ASMS annual Meeting 2011 - Denver

• ASMS2011 MP01-001.pdfNovel Derivatization Strategies for Biomarker Analysis using APLI MS
• ASMS2011-MP01-002 GC-Performance Laminar Flow API Source.pdfGC-MS Performance of a Laminar Flow API Source Including APCI/PAPI, APLI and CAPI for Multi-Mode
• ASMS2011 MP01-003.pdfUltra-sensitive Gas Chromatographic Analysis of PAHs with a Temperature-controlled APLI-source
• ASMS2011-MP01-004 PAPI.pdfPhotoelectron Induced Atmospheric Pressure Ionization (PAPI) - a Selective Ionization Method for Molecules with High Electron Affinities
• ASMS2011-MP01-005 Degradation studies.pdfIn-situ monitoring of atmospheric degradation product studies of aromatic hydrocarbons with CAPI- and APLI-MS
• ASMS2011-MP01-006 Nitro Aromatics.pdfHighly Efficient Ionization of Nitro-aromatic Compounds using Photoelectron Induced Atmospheric Pressure Ionization (PAPI)
• ASMS2011-MP01-020 CAPI.pdfWindowless Miniature Spark Discharge Light Sources for Efficient Generation of VUV Radiation Below 105 nm for On-Capillary APPI (CAPI)

ASMS annual Meeting 2011 - Denver (Thursday Session)

• ASMS2011-TP04-067 Numerical simulation of DIA 01.pdfNumerical Simulation of the Distribution of Ion Acceptance (DIA) in a Commercial API Source
• ASMS2011-TP04-068 Fluid dynamical optimized MPIS 01.pdfDistribution of Ion Acceptance in a Fluid-dynamically Optimized Multi-purpose Ion Source
• ASMS2011-TP04-069 MPIS-CFD 01.pdfComputational Fluid Dynamic Model of a Commercial Atmospheric Pressure Ion Source
• ASMS2011-TP04-070 Ion Migration Model Comparison 03.pdfComparison and Validation of Atmospheric Pressure Ion Migration Models - Finite Element Methods vs. Discrete Particle Tracing
• ASMS2011-TP04-071 Downstream Capillary 03.pdfAPI-MS Transfer Capillary Flow: Examination of the Downstream Gas Expansion

5th Heron Island Conference on Reactive Intermediates and Unusual Molecules: Synthesis and Mechanism

Per Jensen: "Rotation-vibration energy level cluster formation in three- and four-atomic molecules," invited plenary lecture at the 5th Heron Island Conference on Reactive Intermediates and Unusual Molecules: Synthesis and Mechanism, Heron Island, Great Barrier Reef, Queensland, Australia, July 10-16, 2010 

Slides (pdf)

PACIFICHEM: Anharmonic Vibrations of Molecules & Clusters: Experiment and Theory

Per Jensen: "Torsional splittings and anomalous intensities in HSOH," invited lecture at Symposium 116 "Anharmonic Vibrations of Molecules & Clusters: Experiment and Theory" at PACIFICHEM: 2010 International Chemical Congress of Pacific Basin Societies, Honolulu, Hawaii, U.S.A., December 15-20, 2010. 

Slides (pdf)

ASMS annual Meeting 2010 - Salt Lake City

• ASMS2010-TP610-VUVonCapillary.pdfVUV Photoionization within Transfer Capillaries of Atmospheric Pressure Ion sources
• ASMS2010-WP606-computationalToolset.pdfModular Computational Toolset for Atmospheric Pressure Ionization Method Development: SIMION Meets FEM
• ASMS2010-WP607-NovelLaminarSources.pdfNovel Laminar Flow Ion Sources for LC- and GC- API MS
• ASMS2010-WP608-DPSSExcimerComparison.pdfA Comparison of the Performance of Diode Pumped Solid State Lasers and Excimer Lasers in LC- and GC-APLI MS
• ASMS2010-WP609-transferCapillaries.pdfFundamental Characterization of Ion Transfer Capillaries Used in Atmospheric Pressure Ionization Sources

"International Polar Year" Meeting in Oslo 2010

• HONO-IPY.pdfMeasurements of HONO during OASIS in Barrow, Alaska

POZNAN2010: 21st International Conference on High Resolution Molecular Spectroscopy, Poznan, Poland, September 7-11

• THE PREDISSOCIATION OF THE d1A2-STATE OF METHYLENE: A COMBINED AB INITIO (MRCI) AND VARIATIONAL (TROVE) STUDY.S. N. YURCHENKO, B. OSTOJIC, PER JENSEN, P. R. BUNKER
• LINEAR OR QUASI-LINEAR - THAT IS THE QUESTIONT. HIRANO, U. NAGASHIMA, VALERIE DERPMANN, PER JENSEN

64th International Symposium on Molecular Spectroscopy, Columbus, Ohio, U.S.A., June 22-26

• PECULIAR TRAITS OF HSOH IN ITS ROTATIONAL-TORSIONAL SPECTRUM ABOVE 1 THzO. BAUM, M. KOERBER, S. SCHLEMMER, S. N. YURCHENKO, W. THIEL, PER JENSEN, K. M. T. YAMADA, T. F. GIESEN

Annual meeting of the Danish Chemical Society, Odense, Denmark, June 13th

Per Jensen:  "Energy Cluster States at High Rotational Excitation in XH2 and XH3 Molecules," invited lecture.

Slides (pdf)

63rd International Symposium on Molecular Spectroscopy, Columbus, Ohio, U.S.A., June 16-20

• COMPUTATIONAL MOLECULAR SPECTROSCOPY OF FeCO IN THE X3Sigma- AND 1 5Sigma- ELECTRONIC STATESTSUNEO HIRANO, REI OKUDA, UMPEI NAGASHIMA, PER JENSEN
• LARGE AMPLITUDE BENDING MOTION: COMPUTATIONAL MOLECULAR SPECTROSCOPY AND EXPERIMENTS OF TRANSITION-METAL ISOCYANIDE AND CYANIDESTSUNEO HIRANO, REI OKUDA, UMPEI NAGASHIMA, PER JENSEN

13th Spectroscopic Conference organized by the Ioannes Marcus Marci Spectroscopic Society, Lednice na Moravĕ, Czech Republic, June 18-21

Per Jensen:  "Theoretical Rovibronic Spectroscopy of Small Molecules," invited plenary lecture.

Slides (pdf)

62nd International Symposium on Molecular Spectroscopy, Columbus, Ohio, U.S.A., June 18-22

• NEW POTENTIAL ENERGY SURFACES FOR THE X AND A STATES OF CH2+P. R. BUNKER, S. N. YURCHENKO, W. THIEL, C. F. NEESE, J. L. GOTTFRIED, PER JENSEN
• COMPUTATIONAL MOLECULAR SPECTROSCOPY OF FeCN IN THE 6Delta ELECTRONIC GROUND STATETSUNEO HIRANO, REI OKUDA, UMPEI NAGASHIMA, MICHIKO AMANO, YUKARI MITSUI, SACHIKO S. ITONO, PER JENSEN
• COMPUTATIONAL MOLECULAR SPECTROSCOPY: THE EQUILIBRIUM BOND LENGTH OF X3Phi CoHTSUNEO HIRANO, UMPEI NAGASHIMA, MUTSUMI TOMONARI, KIYOSHI TANAKA, PER JENSEN

Twentieth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, September 3-7

• The Renner Effect in the X2A' and A2A'' Electronic States of the HCO RadicalPedro C. Gómez, Tsuneo Hirano, Per Jensen

61st International Symposium on Molecular Spectroscopy, Columbus, Ohio, U.S.A., June 19-23

• A THEORETICAL STUDY OF FeNC IN THE 6Delta ELECTRONIC GROUND STATE.TSUNEO HIRANO, REI OKUDA, UMPEI NAGASHIMA, VLADIMÍR SPIRKO, PER JENSEN
• A THEORETICAL STUDY OF NiCN IN THE 2Delta ELECTRONIC GROUND STATE.TSUNEO HIRANO, PER JENSEN

19th Colloquium on High Resolution Molecular Spectroscopy, Salamanca, Spain, September 12-16

Per Jensen:  "Theoretical Calculations of Rotation-Vibration Energies and Intensities for Small Molecules," invited plenary lecture.

Slides (pdf)

60th International Symposium on Molecular Spectroscopy, Columbus, Ohio, U.S.A., June 20-24

• THE B1A1 ELECTRONIC STATE OF SiH2R. GUEROUT, P. R. BUNKER, W. P. KRAEMER, PER JENSEN
• DIPOLE MOMENT AND ROVIBRATIONAL INTENSITIES IN THE ELECTRONIC GROUND STATE OF NH3: BRIDGING THE GAP BETWEEN AB INITIO THEORY AND SPECTROSCOPIC EXPERIMENT.SERGEI N. YURCHENKO, JINGJING ZHENG, WALTER THIEL, MIGUEL CARVAJAL, HAI LIN, PER JENSEN
• THEORETICAL EVIDENCE FOR THE FORMATION OF ROTATIONAL ENERGY LEVEL CLUSTERS IN THE VIBRATIONAL GROUND STATE OF PH3.SERGEI N. YURCHENKO, WALTER THIEL, SERGUEI PATCHKOVSKII, PER JENSEN
• A NEW BOOK BY US ENTITLED "FUNDAMENTALS OF MOLECULAR SYMMETRY".P. R. BUNKER, PER JENSEN