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Robert Berger - Publications

Affiliations: 
2009-2014 Technische Hochschule Darmstadt 
 2014- Philipps-Universität Marburg, Marburg, Hessen, Germany 
Area:
Theoretical chemistry
Website:
http://fias.uni-frankfurt.de/~berger/
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54 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Hansmann AK, Berger R. Variation of the Fine-Structure Constant in Model Systems for Singlet Fission. The Journal of Physical Chemistry. A. 124: 6682-6687. PMID 32786664 DOI: 10.1021/Acs.Jpca.0C04685  0.329
2020 Kastner A, Koumarianou G, Glodic P, Samartzis PC, Ladda N, Ranecky ST, Ring T, Vasudevan S, Witte C, Braun H, Lee HG, Senftleben A, Berger R, Park GB, Schäfer T, et al. High-resolution resonance-enhanced multiphoton photoelectron circular dichroism. Physical Chemistry Chemical Physics : Pccp. PMID 32215414 DOI: 10.1039/D0Cp00470G  0.334
2020 Gaul K, Berger R. Toolbox approach for quasi-relativistic calculation of molecular properties for precision tests of fundamental physics. The Journal of Chemical Physics. 152: 044101. PMID 32007068 DOI: 10.1063/1.5121483  0.332
2020 Gaul K, Berger R. Ab initio study of parity and time-reversal violation in laser-coolable triatomic molecules Physical Review A. 101. DOI: 10.1103/Physreva.101.012508  0.332
2020 Gaul K, Berger R. Quasi-relativistic study of nuclear electric quadrupole coupling constants in chiral molecules containing heavy elements Molecular Physics. DOI: 10.1080/00268976.2020.1797199  0.323
2019 Fehre K, Eckart S, Kunitski M, Pitzer M, Zeller S, Janke C, Trabert D, Rist J, Weller M, Hartung A, Schmidt LPH, Jahnke T, Berger R, Dörner R, Schöffler MS. Enantioselective fragmentation of an achiral molecule in a strong laser field. Science Advances. 5: eaau7923. PMID 30873429 DOI: 10.1126/Sciadv.Aau7923  0.306
2019 Gaul K, Marquardt S, Isaev T, Berger R. Systematic study of relativistic and chemical enhancements of P,T -odd effects in polar diatomic radicals Physical Review A. 99. DOI: 10.1103/Physreva.99.032509  0.314
2018 Pitzer M, Berger R, Stohner J, Dörner R, Schöffler M. Investigating Absolute Stereochemical Configuration with Coulomb Explosion Imaging. Chimia. 72: 384-388. PMID 29941073 DOI: 10.2533/Chimia.2018.384  0.31
2018 Frenking G, Zhao L, Fernandez I, Berger R, Zhou M, Jiang D. Barium as honorary transition metal in action: Experimental and theoretical study of [Ba(CO)]+ and [Ba(CO)]. Angewandte Chemie (International Ed. in English). PMID 29431895 DOI: 10.1002/Anie.201713002  0.308
2017 Huh J, Berger R. Cumulant expansion for fast estimate of non-Condon effects in vibronic transition profiles. Scientific Reports. 7: 17561. PMID 29242631 DOI: 10.1038/S41598-017-17506-8  0.51
2017 Gaul K, Berger R. Zeroth order regular approximation approach to electric dipole moment interactions of the electron. The Journal of Chemical Physics. 147: 014109. PMID 28688381 DOI: 10.1063/1.4985567  0.337
2017 Tia M, Pitzer M, Kastirke G, Gatzke J, Kim HK, Trinter F, Rist J, Hartung A, Trabert D, Siebert J, Henrichs K, Becht J, Zeller S, Gassert H, Wiegandt F, ... ... Berger R, et al. Observation of Enhanced Chiral Asymmetries in the Inner-Shell Photoionization of Uniaxially Oriented Methyloxirane Enantiomers. The Journal of Physical Chemistry Letters. PMID 28582620 DOI: 10.1021/Acs.Jpclett.7B01000  0.33
2017 Goetz RE, Isaev TA, Nikoobakht B, Berger R, Koch CP. Theoretical description of circular dichroism in photoelectron angular distributions of randomly oriented chiral molecules after multi-photon photoionization. The Journal of Chemical Physics. 146: 024306. PMID 28088152 DOI: 10.1063/1.4973456  0.347
2016 Pitzer M, Kastirke G, Burzynski P, Weller M, Metz D, Neff J, Waitz M, Trinter F, Schmidt LPH, Williams JB, Jahnke T, Schmidt-Böcking H, Berger R, Dörner R, Schöffler M. Stereochemical configuration and selective excitation of the chiral molecule halothane Journal of Physics B. 49: 234001. DOI: 10.1088/0953-4075/49/23/234001  0.326
2016 Klues M, Jerabek P, Breuer T, Oehzelt M, Hermann K, Berger R, Witte G. Understanding the F 1s NEXAFS Dichroism in Fluorinated Organic Semiconductors Journal of Physical Chemistry C. 120: 12693-12705. DOI: 10.1021/Acs.Jpcc.6B04048  0.324
2014 Meier P, Oschetzki D, Berger R, Rauhut G. Transformation of potential energy surfaces for estimating isotopic shifts in anharmonic vibrational frequency calculations. The Journal of Chemical Physics. 140: 184111. PMID 24832257 DOI: 10.1063/1.4874849  0.332
2014 Kudashov AD, Petrov AN, Skripnikov LV, Mosyagin NS, Isaev TA, Berger R, Titov AV. Ab initio study of radium monofluoride (RaF) as a candidate to search for parity- and time-and-parity-violation effects Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/Physreva.90.052513  0.303
2014 Isaev TA, Berger R. Periodic trends in parity-violating hyperfine coupling constants of open-shell diatomic molecules Journal of Molecular Spectroscopy. 300: 26-30. DOI: 10.1016/J.Jms.2014.01.014  0.319
2013 Hobi F, Berger R, Stohner J. Investigation of parity violation in nuclear spin-rotation interaction of fluorooxirane Molecular Physics. 111: 2345-2362. DOI: 10.1080/00268976.2013.816444  0.31
2013 Fink EML, Schießer A, Berger R, Holthausen MC. Fragmentation reactions of Si2Cl6 + in the gas phase - A quantum-chemical and mass-spectrometric assessment International Journal of Mass Spectrometry. 354: 378-390. DOI: 10.1016/J.Ijms.2013.08.002  0.3
2012 Wendler K, Dommert F, Zhao YY, Berger R, Holm C, Delle Site L. Ionic liquids studied across different scales: a computational perspective. Faraday Discussions. 154: 111-32; discussion 1. PMID 22455017 DOI: 10.1039/C1Fd00051A  0.313
2012 Dommert F, Wendler K, Berger R, Delle Site L, Holm C. Force fields for studying the structure and dynamics of ionic liquids: a critical review of recent developments. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 1625-37. PMID 22344944 DOI: 10.1002/Cphc.201100997  0.307
2012 Isaev TA, Berger R. Electron correlation and nuclear charge dependence of parity-violating properties in open-shell diatomic molecules Physical Review a - Atomic, Molecular, and Optical Physics. 86. DOI: 10.1103/Physreva.86.062515  0.352
2012 Huh J, Berger R. Coherent state-based generating function approach for Franck-Condon transitions and beyond Journal of Physics: Conference Series. 380. DOI: 10.1088/1742-6596/380/1/012019  0.501
2011 Huh J, Berger R. Application of time-independent cumulant expansion to calculation of Franck-Condon profiles for large molecular systems. Faraday Discussions. 150: 363-73; discussion 3. PMID 22457957 DOI: 10.1039/C0Fd00014K  0.532
2011 Rezabal E, Gauss J, Matxain JM, Berger R, Diefenbach M, Holthausen MC. Quantum chemical assessment of the binding energy of CuO+. The Journal of Chemical Physics. 134: 064304. PMID 21322677 DOI: 10.1063/1.3537797  0.338
2010 Diehl FP, Roos C, Jankowiak HC, Berger R, Köhn A, Diezemann G, Basché T. Combined experimental and theoretical study of the vibronic spectra of perylenecarboximides. The Journal of Physical Chemistry. B. 114: 1638-47. PMID 20058882 DOI: 10.1021/Jp909862X  0.365
2010 Isaev TA, Hoekstra S, Berger R. Laser-cooled RaF as a promising candidate to measure molecular parity violation Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/Physreva.82.052521  0.344
2010 Huh J, Neff M, Rauhut G, Berger R. Franck-Condon profiles in photodetachment-photoelectron spectra of HS - 2 and DS- 2 based on vibrational configuration interaction wavefunctions Molecular Physics. 108: 409-423. DOI: 10.1080/00268970903521178  0.533
2010 Krekeler C, Dommert F, Schmidt J, Zhao YY, Holm C, Berger R, Delle Site L. Electrostatic properties of liquid 1,3-dimethylimidazolium chloride: Role of local polarization and effect of the bulk Physical Chemistry Chemical Physics. 12: 1817-1821. DOI: 10.1039/B917803C  0.301
2010 Coriani S, Kjærgaard T, Jørgensen P, Ruud K, Huh J, Berger R. An atomic-orbital-based lagrangian approach for calculating geometric gradients of linear response properties Journal of Chemical Theory and Computation. 6: 1028-1047. DOI: 10.1021/Ct900506C  0.553
2010 Dommert F, Schmidt J, Krekeler C, Zhao YY, Berger R, Delle Site L, Holm C. Towards multiscale modeling of ionic liquids: From electronic structure to bulk properties Journal of Molecular Liquids. 152: 2-8. DOI: 10.1016/J.Molliq.2009.06.014  0.343
2010 Berger R, Huh J, Kleinekathöfer U, Ochsenfeld C. Theoretical chemistry 2009 | Theoretische Chemie 2009 Nachrichten Aus Der Chemie. 58: 331-338. DOI: 10.1002/Nadc.201068406  0.47
2009 Yan D, Thomson MD, Backer M, Bolte M, Hahn R, Berger R, Fann W, Roskos HG, Auner N. Synthesis, structure, photoluminescence and photoreactivity of 2,3-diphenyl-4-neopentyl-1-silacyclobut-2-enes. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 8625-45. PMID 19681080 DOI: 10.1002/Chem.200901323  0.303
2009 Nahrwold S, Berger R. Zeroth order regular approximation approach to parity violating nuclear magnetic resonance shielding tensors. The Journal of Chemical Physics. 130: 214101. PMID 19508050 DOI: 10.1063/1.3103643  0.309
2008 Krekeler C, Schmidt J, Zhao YY, Qiao B, Berger R, Holm C, Delle Site L. Study of 1,3-dimethylimidazolium chloride with electronic structure methods and force field approaches. The Journal of Chemical Physics. 129: 174503. PMID 19045354 DOI: 10.1063/1.2998522  0.311
2008 Berger R. Breit interaction contribution to parity violating potentials in chiral molecules containing light nuclei. The Journal of Chemical Physics. 129: 154105. PMID 19045174 DOI: 10.1063/1.2958280  0.325
2007 Berger R, Stuber JL. Electroweak interactions in chiral molecules: Two-component density functional theory study of vibrational frequency shifts in polyhalomethanes Molecular Physics. 105: 41-49. DOI: 10.1080/00268970601126759  0.342
2007 Jankowiak HC, Stuber JL, Berger R. Vibronic transitions in large molecular systems: Rigorous prescreening conditions for Franck-Condon factors Journal of Chemical Physics. 127. DOI: 10.1063/1.2805398  0.363
2006 Fokin AA, Schreiner PR, Berger R, Robinson GH, Wei P, Campana CF. Pseudotetrahedral polyhalocubanes: synthesis, structures, and parity violating energy differences. Journal of the American Chemical Society. 128: 5332-3. PMID 16620091 DOI: 10.1021/Ja060781P  0.301
2006 Roithová J, Schröder D, Berger R, Schwarz H. Doubly protonated benzene in the gas phase. The Journal of Physical Chemistry. A. 110: 1650-7. PMID 16435828 DOI: 10.1021/Jp054298X  0.311
2006 Laubender G, Berger R. Electroweak quantum chemistry for nuclear-magnetic-resonance-shielding constants: Impact of electron correlation Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/Physreva.74.032105  0.361
2005 Berger R, van Wüllen C. Density functional calculations of molecular parity-violating effects within the zeroth-order regular approximation. The Journal of Chemical Physics. 122: 134316. PMID 15847474 DOI: 10.1063/1.1869467  0.354
2005 Berger R, Langermann N, Van Wüllen C. Zeroth-order regular approximation approach to molecular parity violation Physical Review a - Atomic, Molecular, and Optical Physics. 71. DOI: 10.1103/Physreva.71.042105  0.347
2004 Berger R. Parity-Violation Effects in Molecules Theoretical and Computational Chemistry. 14: 188-288. DOI: 10.1016/S1380-7323(04)80031-1  0.308
2004 Bakasov A, Berger R, Ha TK, Quack M. Ab initio calculation of parity-violating potential energy hypersurfaces of chiral molecules International Journal of Quantum Chemistry. 99: 393-407. DOI: 10.1002/Qua.20048  0.367
2003 Laubender G, Berger R. Ab initio calculation of parity-violating chemical shifts in NMR spectra of chiral molecules. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 4: 395-9. PMID 12728558 DOI: 10.1002/Cphc.200390070  0.344
2003 Berger R. Molecular parity violation in electronically excited states Physical Chemistry Chemical Physics. 5: 12-17. DOI: 10.1039/B209457F  0.358
2003 Laubender G, Berger R. Cover Picture: Ab Initio Calculation of Parity‐Violating Chemical Shifts in NMR Spectra of Chiral Molecules (ChemPhysChem 4/2003) Chemphyschem. 4: 321-321. DOI: 10.1002/Cphc.200390056  0.342
2001 Berger R, Gottselig M, Quack M, Willeke M. Parity Violation Dominates the Dynamics of Chirality in Dichlorodisulfane. Angewandte Chemie (International Ed. in English). 40: 4195-4198. PMID 29712089 DOI: 10.1002/1521-3773(20011119)40:22<4195::Aid-Anie4195>3.0.Co;2-W  0.329
2000 Berger R, Quack M. Electroweak quantum chemistry of alanine: parity violation in gas and condensed phases. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 1: 57-60. PMID 23696262 DOI: 10.1002/1439-7641(20000804)1:1<57::Aid-Cphc57>3.0.Co;2-J  0.306
2000 Berger R, Quack M. Multiconfiguration linear response approach to the calculation of parity violating potentials in polyatomic molecules Journal of Chemical Physics. 112: 3148-3158. DOI: 10.1063/1.480900  0.312
1998 Berger R, Fischer C, Klessinger M. Calculation of the vibronic fine structure in electronic spectra at higher temperatures. 1. Benzene and pyrazine Journal of Physical Chemistry A. 102: 7157-7167. DOI: 10.1021/Jp981597W  0.605
1997 Berger R, Klessinger M. Algorithms for exact counting of energy levels of spectroscopic transitions at different temperatures Journal of Computational Chemistry. 18: 1312-1319. DOI: 10.1002/(Sici)1096-987X(19970730)18:10<1312::Aid-Jcc5>3.0.Co;2-Q  0.546
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