2024

ASMS 2024 - Anaheim

• ASMS_Poster_2024_MR.pdf MP 246 Analysis of surface-induced dissociation of large droplets formed by ESI in wall collisions via molecular dynamics simulations 9 MB
• ASMS_Poster_2024_FS.pdf TP 284 Time-resolved characterization and analysis of pulsed ion sources by synchronized oaTOF-MS 286 KB
• ASMS_Poster_2024_LL.pdf ThP 318 Displacement current measurements to analyse charged droplets generated by electrospray ionisation (ESI) in a vacuum system 1 MB
• ASMS_Poster_2024_PI.pdf ThP 321 Statistical analysis of aspirated charged droplet signatures in non-summed mass spectra from various commercial LC-ESI-MS systems 3 MB
• ASMS_Poster_2024_AB.pdf ThP 322 Observation of charged ESI droplets aspirated in a Linear Ion Trap (LIT) 783 KB
• ASMS_Poster_2024_CH.pdf ThP 323 Droplet and Spraymode Induced Long-Term Behaviour of Analyte Signals in Electrospray MS Using Visual Spray Observation and Ion Current Measurements 2 MB
• ASMS_Poster_2024_FW.pdf ThP 324 Investigation of the chlorine dioxide redox chemistry in ESI 330 KB
• ASMS_Poster_2024_LM.pdf ThP 402 Intercomparison Study of two High-Resolution TOF-MS for Ultra-Trace Detection 735 KB
• ASMS_Poster_2024_NP.pdf ThP 524 Detection of ions generated in an intense pulsed EUV-light beam using different interfaces to a high-resolution TOF-MS 3 MB
• ASMS_Poster_2024_SB.pdf ThP 528 Probing ions from deeply embedded plasmas: From simulation to realization Investigation of a novel long distance ion transfer unit 1 MB
• ASMS_Poster_2024_RMH.pdf ThP 535 Simulation of the pressure dependent Dynamic Ion Acceptance Volume (DIAV) of an electrically biased external ion sampling stage 3 MB
• ASMS_Poster_2024_MH.pdf ThP 539 Ion chemistry simulation in Traveling Wave IMS using an open simulation framework (IDSimF) 346 KB

DGMS 2024 - Freising

• DGMS_2024_Poster_AB.pdf Observation of charged ESI droplets aspirated in a Linear Ion Trap (LIT) 615 KB
• DGMS_2024_Poster_AH.pdf Investigation of neutral Electrolysis Products in an Electrospray Ion Source 1 MB
• DGMS_2024_Poster_CH.pdf Exploring the long-term Stability of Analyte Signals in Electrospray Mass Spectrometry through Ion Current Measurement and Optical Spray Monitoring 2 MB
• DGMS_2024_Poster_FS.pdf Development and Characterization of Pulsed Ion Sources Coupled to oaTOFs 428 KB
• DGMS_2024_Poster_FW.pdf Investigation of the chlorine oxides redox chemistry in ESI 145 KB
• DGMS_2024_Poster_Hü.pdf Simulation of the pressure dependent Dynamic Ion Acceptance Volume (DIAV) of an electrically biased external ion sampling stage 2 MB
• DGMS_2024_Poster_LL.pdf Analysis of Charged Droplets from ESI in a Vacuum System by Displacement Current Measurements 1 MB
• DGMS_2024_Poster_LM.pdf Intercomparison Study of two High-Resolution TOF-MS for Ultra-Trace Detection 640 KB
• DGMS_2024_Poster_MH.pdf Simulation of ion chemistry in Traveling Wave IMS with an open simulation framework (IDSimF) 234 KB
• DGMS_2024_Poster_MR.pdf Investigation of Surface-Induced Dissociation: Molecular Dynamics Simulations of Wall Collisions of Large Droplets Formed by ESI 4 MB
• DGMS_2024_Poster_NP.pdf Detection of Ions generated in an intense pulsed EUV-light beam using different interfaces to a high resolution TOF-MS 1 MB
• DGMS_2024_Poster_PI.pdf Signatures of Aspirated Charged Droplets in Single Spectra Intensity Distributions in commercial LC-ESI-MS Systems 897 KB

2023

ASMS 2023 - Houston

• ASMS2023_FW_ClO2_Oxidation.pdf TP 075 Non target TOF-analysis of oxidation products of aromatic amino acids with chlorine dioxide as potential marker of cell degradation 870 KB
• ASMS2023_ML_QMSBaseline.pdf WP 247 Elevation of the baseline in Quadrupole Mass Spectrometers: Mechanism and Solution 1 MB
• ASMS2023_CH_DropletsMicroTOFLongTerm.pdf WP 250 Investigation of Long-Term Behavior of Large, Charged ESI Droplets Aspirated into the High Vacuum Region of two Commercial MS Systems 2 MB
• ASMS2023_WW_ESIAropletAspiration.pdf WP 251 Observation of charged ESI droplets aspirated into the vacuum system of a commercial QIT under variated LC conditions 1 MB
• ASMS2023_AB_DIA_APLI.pdf WP 256 Measurement of Distribution of Ion Acceptance (DIA) in ESI and APCI ion sources 447 KB
• ASMS2023_JR_AccumulationIonSource.pdf WP 412 Development and Evaluation of a Novel Accumulation Ion Source for Chemically Instable Compounds 682 KB
• ASMS2023_SB_SamplingDistantLocation.pdf WP 426 - A Novel Method for the Sampling of Native Ions from a Distant Location 338 KB
• ASMS2023_NP_PlasmaIons.pdf WP 432 Detection of plasma ions by coupling a high resolution TOF-MS at minimum distance to EUV-light focus point. 1 MB
• ASMS2023_MR_MobilitiesMDModel.pdf WP 452 Prediction of ion mobilities using molecular dynamics based ion-neutral collisions in an open simulation framework (IDSimF) 920 KB
• ASMS2023_MH_TWIMSSimulation.pdf WP 454 Simulation of Ion Trajectories in Travelling Wave IMS with an Open Simulation Framework (IDSimF) 2 MB

DGMS 2023 - Dortmund

• DGMS2023_AB_DIAMeasurement.pdf Measurement of Distribution of Ion Acceptance (DIA) in APLI Ion Sources 417 KB
• DGMS2023_CH_DropletsMicrotofLongterm.pdf Investigation of Large Charged ESI Droplets Penetrating the High Vacuum Region of a Commercial ESI-MS under Long- Term Conditions 2 MB
• DGMS2023_DP_DMSModulatedCV.pdf Retrieval of time resolved ion mobility from phase dependent modulated compensation voltage in Differential Ion Mobility Spectrometry 4 MB
• DGMS2023_FW_ClO2Oxidation.pdf Identification of CID fragmented oxidation products of tryptophan with chlorine dioxide solutions as marker of potential cell degradation 882 KB
• DGMS2023_JR_AccumulationIonSource.pdf Development and evaluation of a novel accumulation ion source for chemically instable compounds 652 KB
• DGMS2023_LG_ESIDropletsMD.pdf Molecular Dynamics Simulation of charged ESI droplet fragmentation in MS vacuum stages 900 KB
• DGMS2023_LL_DropletsTrapFragmentation.pdf Fragmentation Dynamics of Aspirated Charged Droplets from ESI in an Ion-Trap Analyzer 1 MB
• DGMS2023_MH_TWIMSSimulation.pdf Ion Trajectory Simulation in Travelling Wave IMS with an open simulation framework (IDSimF) 1 MB
• DGMS2023_ML_QMSBaseline.pdf Elevation of the Baseline in Quadrupole Mass Spectrometers: Mechanism and Solution 1 MB
• DGMS2023_MR_MDCollisionModel.pdf Molecular Dynamics Based Ion-Neutral Collision Modeling and Application in Ion Mobility Spectrometry 883 KB
• DGMS2023_NP_PlasmaIonsTOFMS.pdf Detection of Plasma Ions by Coupling a High Resolution TOF-MS at Minimum Distance to EUV-light Focus Point. 1 MB
• DGMS2023_PI_DropletsAnalyticalConditions.pdf Observation of Charged ESI Droplets Aspirated into Commercial MS High Vacuum Systems under Analytical LC Conditions 1 MB
• DGMS2023_SB_IonHighway.pdf Revving up the Ion Highway - A Novel Method for the Sampling of Native Ions from a Distant Location 344 KB
• DGMS2033_OB_DropletsTransferStage.pdf The effects of ion source and transfer parameters on charged droplets formed by ESI ionization 2 MB

2022

IMSC 2022 - Maastricht

• IMSC2022_CH_DropletBursts.pdf Signatures of Liquid Droplets from Electrospray in the Mass Analyzer Region of a Commercial ESI-TOF-MS
• IMSC2022_DE_AcetonDMS.pdf Numerical and Experimental Investigations of Proton-Bound Acetone/Water Clusters in Differential Ion Mobility Spectrometry
• IMSC2022_JR_MetalSurfaceProducts.pdf Mass Spectrometric Product Study in the Interaction of Selected Metal Surfaces with H2 Plasma Generated Species
• IMSC2022_LG_DropletMD.pdf Molecular Dynamic Simulation of ESI droplet fragmentation in MS vacuum stages
• IMSC2022_LL_DropletsIonsource.pdf Effects of ESI Source Parameters on Charged Droplets Observed in API-MS Systems
• IMSC2022_ML_QuadBaseline.pdf Metastables as a source for baselineshift in Quadrupole Mass Analyzers
• IMSC2022_MR_MDCollisions.pdf Implementation of a molecular dynamics collision model for determination of ion mobilities in the ion dynamics simulation framework (IDSimF)
• IMSC2022_SB_SoftSphereCollisions.pdf Implementing a variable Soft Sphere Collision Model into the IDSimF Simulation Framework

2020

DGMS 2020 - Münster (53. Jahrestagung der deutschen Gesellschaft für Massenspektrometrie)

• Charge Retention / Charge Depletion in ESI MS: Experimental evidence and theoretical rationale; Marco Thinius, Christine Polaczek, Alexander Haack, Thorsten Benter, Plenary opening lecture.
• DGMS2020_H2_plasma products.pdf Product study in the interaction of selected metal and semiconductor surfaces with H2 plasma generated species
• DGMS2020_Ions_in_Sparta.pdf Characterization of an Integrated Low Pressure Gas Dynamics and Ion Migration Simulation Method within the SPARTA-DSMC Framework
• DGMS2020_Nanodroplets.pdf Simulations of Charged Nanodroplets in MS Transfer Stages
• DGMS2020 Quad characterization.pdf Characterization of Quadrupole Mass Filters regarding elevated entrance ion currents
• DGMS2020_DMS_FirstPrinciples.pdf A First Principles Model of Differential Ion Mobility: The Effect of Ion-Solvent Clustering

ASMS 2020 Annual Meeting - Reboot (online Veranstaltung)

• ASMS2020_MP299_HiKEReactantIons.pdf Investigations 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.pdf Chemical Reaction and Transport Simulations of Positive Reactant Ions in High Kinetic Energy IMS (HiKE-IMS)
• ASMS2020_TP266_ExperimentalNanodroplets.pdf Experimental Investigation of Charged Nanodroplets in MS Transfer Stages originating from ESI plumes
• ASMS2020_TP268_SPARTAIonMobility.pdf Integrated Simulation of Rarefied Gas Dynamics and Ion Transport with a DSMC Method
• ASMS2020_TP278_NanodropletsMDSimulation.pdf Simulations of Collision Induced Evaporation Processes of Nanodroplets in MS Inlet Stages
• ASMS2020_WP214_ChemicalModificationMatrixGas.pdf Chemical modification of the matrix gas: Comparison experiments with ESI-MS and ESI-IMS-MS
• ASMS2020_WP347_IDSimF.pdf Ion Dynamics Simulation Framework (IDSimF): An Open Source Trajectory Simulation Framework
• ASMS2020_WP349_IonTransportIntoQIT.pdf Transport of Plasma generated Ions into a Fourier Transform Quadrupole Ion Trap using viscous gas flows
• ASMS2020_WP352_PlasmaIonization.pdf Hydrogen plasma based chemical ionization source for GC-MS

2019

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 Ethane

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

• DGMS2019_IMS_clusterchemistry.pdf
• DGMS2019_ion_solvent_interactions.pdf
• DGMS2019_kinetic_energy_distributions.pdf

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 Annual Meeting - Atlanta

• ASMS2019_MP258.pdf
• ASMS2019_MP284.pdf
• ASMS2019_ThP297.pdf
• ASMS2019_ThP299.pdf
• ASMS2019_TP290.pdf
• ASMS2019_TP293.pdf
• ASMS2019_TP296.pdf
• ASMS2019_TP453.pdf
• ASMS2019_TP484.pdf
• ASMS2019_TP521.pdf
• ASMS2019_WP314.pdf
• ASMS2019_WP434.pdf

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 CALCULATIONS
• A VARIATIONALLY COMPUTED T=300 K LINE LIST FOR THE METHYL RADICAL CH3

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

• The Planck constant and its units

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.
• JON HOUGEN: SCIENTIFIC LIFE IN PICTURES.
• THE EXTENDED MOLECULAR SYMMETRY GROUP G36(EM) AND THE THEORETICAL SPECTROSCOPY OF ETHANE.

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

• The Planck constant and its units
• 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)

2018

ASMS 2018 Annual Meeting - San Diego

• ASMS2018_MP376_EvaluationOfKineticEnergyDistributions.pdf
• ASMS2018_MP382_SimulationsOfIonTrajectoriesInBesselBox.pdf
• ASMS2018_ThP499_KineticallyControlled_chemical_ionization_setup.pdf
• ASMS2018_ThP520_EvaluationOfSpaceChargeEffectsInQITs.pdf
• ASMS2018_ThP521_SimulationOfCollisional_InteractionsOfTrappedIons.pdf
• ASMS2018_TP192_Ab-InitioApproachToDifferentialMobilities.pdf
• ASMS2018_TP387_MultipleCoronaH2-N2IonSource.pdf
• ASMS2018_WP304_InvestigationOfFragmentationProcessesInAPLI.pdf
• ASMS2018_WP307_IonIolventInteractionsInNanoESI-MS.pdf
• ASMS2018_WP464_InfluenceOfClusterReactionsInDMS.pdf
• ASMS2018_WP467_ChemicalKineticAndIon_TransportSimulations.pdf

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 2Π
• RO-VIBRATIONALLY AVERAGED STRUCTURE OF X̃ 2Π NCS: RE-INTERPRETATION OF THE B0 VALUES
• ARE LINEAR MOLECULES REALLY LINEAR? I. THEORETICAL PREDICTIONS
• ARE LINEAR MOLECULES REALLY LINEAR? II. RE-INTERPRETATION OF EXPERIMENTAL B0-VALUES.
• DIPOLE MOMENTS OF LINEAR MOLECULES: A COMPUTATIONAL MOLECULAR SPECTROSCOPY STUDY

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+

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)

2017

ASMS 2017 Annual Meeting - Indianapolis

• ASMS2017_MP245_AHaack.pdf
• ASMS2017_ThP188_YB.pdf
• ASMS2017_ThP189_CP_BtreeQIT.pdf
• ASMS2017_THP190_MT.pdf
• ASMS2017_ThP191_WW_BtreeQuad.pdf
• ASMS2017_ThP192_FS_DMS.pdf
• ASMS2017_TP422_HK.pdf
• ASMS2017_TP424_KK.pdf
• ASMS2017_TP425_NH.pdf

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 Molecule

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 MOLECULES

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)

2016

ASMS 2016 Annual Meeting - San Antonio

• ASMS2016_TP_197_chemicalDMSsimulation.pdf
• ASMS2016_TP_417_FTQIT.pdf
• ASMS2016_WP_428_DAPPIdevelopment.pdf
• ASMS2016_ThP_282_microPlasmaSource.pdf
• ASMS2016_ThP_309_nESIChemicalModifiers.pdf
• ASMS2016_ThP_317_AbInitioIpsoSubstitution.pdf
• ASMS2016_ThP_318_photoelectricEffects.pdf
• ASMS2016_ThP_319_NH3Production.pdf

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 SbH2
• An Empirical Potential Energy Surface for the Electronic Ground State of HCO+

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 SbH2
• SYMMETRY IN THE GENERALIZED ROTOR MODEL FOR EXTREMELY FLOPPY MOLECULES
• ON THE LOWEST RO-VIBRATIONAL STATES OF PROTONATED METHANE: EXPERIMENT AND ANALYTICAL MODEL

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 SbH2

2015

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

• Spectroscopy of a miniature spark discharge in the range of 40 - 1200 nm

ASMS Annual Meeting 2015 - St. Louis

• MP047.pdf
• MP053.pdf
• MP054.pdf
• MP060.pdf
• MP061.pdf
• MP063.pdf
• MP069.pdf
• TP056.pdf
• WP423.pdf

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 A2A1
• Computational Molecular Spectroscopy of NCS in the X2Π Electronic Ground State
• EMPIRICAL POTENTIAL ENERGY SURFACES FOR THE ELECTRONIC GROUND STATES OF BeOH, C3 and HCO+

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

• SYMMETRY BEYOND PERTURBATION THEORY: FLOPPY MOLECULES AND ROTATION-VIBRATION STATES

2014

ASMS Annual Meeting 2014 - Baltimore

• MP299_T.J.Kauppila.pdf
• MP315_Th.Benter.pdf
• MP524_V.Derpmann.pdf
• MP684_H.Kersten.pdf

ASMS annual Meeting 2014 - Baltimore (Thursday Session)

• TP731_Klopotowski_01.pdf
• TP732_D.Mueller_01.pdf
• TP733_S.Klee_01.pdf
• TP734_Y.Brachthaeuser_01.pdf
• TP735_W.Wissdorf_01.pdf
• TP736_S.Albrecht_01.pdf
• TP737_Klopotowski2_01.pdf

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

• Ab initio CALCULATIONS FOR THE GROUP 2 M2O HYPERMETALLIC OXIDES

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

• VIBRATIONAL AVERAGING OF THE ISOTROPIC HYPERFINE COUPLING CONSTANTS FOR THE METHYL RADICAL
• ROTATIONAL SPECTRUM OF SO3 AND THEORETICAL EVIDENCE FOR THE FORMATION OF ROTATIONAL ENERGY LEVEL CLUSTERS IN ITS VIBRATIONAL GROUND STATE

2013

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.pdf
• MP275.pdf
• MP276.pdf
• MP277.pdf
• MP278.pdf
• MP279.pdf
• MP280.pdf
• MP281.pdf
• MP284.pdf

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/HOS

2012

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.pdf
• MP29-668.pdf
• MP29-670.pdf
• MP29-671.pdf
• MP29-674.pdf
• MP29_673.pdf
• MP29_676_low_res.pdf
• Mp29-672.pdf

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+

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 a3Σu
• Large Amplitude Bending Motion: A Computational-Molecular-Spectroscopy Approach

2011

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.pdf
• ASMS2011-MP01-002_GC-Performance_Laminar_Flow_API_Source.pdf
• ASMS2011_MP01-003.pdf
• ASMS2011-MP01-004_PAPI.pdf
• ASMS2011-MP01-005_Degradation_studies.pdf
• ASMS2011-MP01-006_Nitro_Aromatics.pdf
• ASMS2011-MP01-020_CAPI.pdf

ASMS Annual Meeting 2011 - Denver (Thursday Session)

• ASMS2011-TP04-067_Numerical_simulation_of_DIA_01.pdf
• ASMS2011-TP04-068_Fluid_dynamical_optimized_MPIS_01.pdf
• ASMS2011-TP04-069_MPIS-CFD_01.pdf
• ASMS2011-TP04-070_Ion_Migration_Model_Comparison_03.pdf
• ASMS2011-TP04-071_Downstream_Capillary_03.pdf

2010

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.pdf
• ASMS2010-WP606-computationalToolset.pdf
• ASMS2010-WP607-NovelLaminarSources.pdf
• ASMS2010-WP608-DPSSExcimerComparison.pdf
• ASMS2010-WP609-transferCapillaries.pdf

"International Polar Year" Meeting in Oslo 2010

• HONO-IPY.pdf

Workshop: "Atmospheric Chemistry: kinetics and spectroscopy" 2010 in Bayreuth

• Poster_TiO2.pdf

International Workshop on Spectroscopic Signatures of Molecular Complexes/Ions in our Atmosphere and Beyond, Udai Pratap Autonomous College, Varanasi, India, February 2-4

Per Jensen: "Rotation-vibration energy level cluster formation in three- and four-atomic molecules," invited plenary lecture.

Slides (pdf)

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.
• LINEAR OR QUASI-LINEAR - THAT IS THE QUESTION

2009

AGU 2009 Fall Meeting

• Poster_HONO_AGU2009.pdf

Seventh International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2009), Rhodes, Greece, September 29-October 4

Per Jensen: "Rotation-vibration energy level cluster formation in three- and four-atomic molecules," invited lecture.

Slides (pdf)

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 THz

2008

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 STATES
• LARGE AMPLITUDE BENDING MOTION: COMPUTATIONAL MOLECULAR SPECTROSCOPY AND EXPERIMENTS OF TRANSITION-METAL ISOCYANIDE AND CYANIDES

2007

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+
• COMPUTATIONAL MOLECULAR SPECTROSCOPY OF FeCN IN THE 6Delta ELECTRONIC GROUND STATE
• COMPUTATIONAL MOLECULAR SPECTROSCOPY: THE EQUILIBRIUM BOND LENGTH OF X3Phi CoH

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 Radical

2006

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.
• A THEORETICAL STUDY OF NiCN IN THE 2Delta ELECTRONIC GROUND STATE.

2005

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 SiH2
• DIPOLE MOMENT AND ROVIBRATIONAL INTENSITIES IN THE ELECTRONIC GROUND STATE OF NH3: BRIDGING THE GAP BETWEEN AB INITIO THEORY AND SPECTROSCOPIC EXPERIMENT.
• THEORETICAL EVIDENCE FOR THE FORMATION OF ROTATIONAL ENERGY LEVEL CLUSTERS IN THE VIBRATIONAL GROUND STATE OF PH3.
• A NEW BOOK BY US ENTITLED "FUNDAMENTALS OF MOLECULAR SYMMETRY".