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Veröffentlichungen

Vorabdrucke

N. Sahu, K. Gaul, A. Wilm, M. Schnell, R. Berger,
Towards detection of molecular parity violation by microwave spectroscopy of CpRe(CH₃)(CO)(NO),
arXiv:2303.08263 [physics.chem-ph],
14 Mär 2023.
C. Zülch, K. Gaul, S. M. Giesen, R. F. G. Ruiz, R. Berger,
Cool molecular highly charged ions for precision tests of fundamental physics,
arXiv:2203.10333 [physics.chem-ph],
19 Mär 2022.
R. Alarcon, J. Alexander, V. Anastassopoulos, T. Aoki, R. Baartman, S. Baeßler, L. Bartoszek, D. H. Beck, F. Bedeschi, R. Berger, M. Berz, T. Bhattacharya, M. Blaskiewicz, T. Blum, T. Bowcock, K. Brown, D. Budker, S. Burdin, B. C. Casey, G. Casse, G. Cantatore, L. Cheng, T. Chupp, V. Cianciolo, V. Cirigliano, S. M. Clayton, C. Crawford, B. P. Das, H. Davoudiasl, J. de Vries, D. DeMille, D. Denisov, M. V. Diwan, J. M. Doyle, J. Engel, G. Fanourakis, R. Fatemi, B. W. Filippone, N. Fomin, W. Fischer, A. Gardikiotis, R. F. Garcia Ruiz, C. Gatti, J. Gooding, P. Graham, F. Gray, W. Clark Griffith, S. Haciomeroglu, G. Gwinner, S. Hoekstra, G. H. Hoffstaetter, H. Huang, N. R. Hutzler, M. Incagli, T. M. Ito, T. Izubuchi, A. M. Jayich, H. Jeong, D. Kaplan, M. Karuza, D. Kawall, O. Kim, I. Koop, V. Lebedev, J. Lee, S. Lee, K. K. H. Leung, C. Liu, J. Long, A. Lusiani, W. J. Marciano, M. Maroudas, A. Matlashov, N. Matsumoto, R. Mawhorter, F. Meot, E. Mereghetti, J. P. Miller, W. M. Morse, J. Mott, Z. Omarov, C. O'Shaughnessy, C. Ozben, S. Park, R. W. Pattie Jr., A. N. Petrov, G. Maria Piacentino, B. R. Plaster, B. Podobedov, M. Poelker, D. Pocanic, V. S. Prasannaa, J. Price, M. J. Ramsey-Musolf, D. Raparia, S. Rajendran, M. Reece, A. Reid, S. Rescia, A. Ritz et al.,
Electric dipole moments and the search for new physics,
arXiv:2203.08103 [hep-ph],
15 Mär 2022.
T. A. Isaev, S. Hoekstra, L. Willmann and R. Berger,
Ion neutralisation mass-spectrometry route to radium monofluoride (RaF),
arXiv:1310.1511 [physics.chem-ph],
5 Okt 2013.
T. A. Isaev and R. Berger,
Lasercooled radium monofluoride: A molecular all-in-one probe for new physics,
arXiv:1302.5682 [physics.chem-ph],
22 Feb 2013.

Veröffentlichungen (von Experten begutachtet)

M. Au , M. Athanasakis-Kaklamanakis, L. Nies, J. Ballof, R. Berger, K. Chrysalidis, P. Fischer, R. Heinke, J. Johnson, U. Köster, D. Leimbach, B. Marsh, M. Mougeot, J. Reilly, E. Reis , M. Schlaich, Ch. Schweiger, L. Schweikhard, S. Stegemann, J. Wessolek, F. Wienholtz, S. G. Wilkins, W. Wojtaczka, Ch. E. Düllmann, S. Rothe,
In-source and in-trap formation of molecular ions in the actinide mass range at CERN-ISOLDE,
Nucl. Instrum. Methods Phys. Res. B, 2023, 541, 375–379;
arXiv:2303.12215 [physics.ins-det],
21 Mär 2023.
C. Zülch, K. Gaul, R. Berger,
Fundamental Physics with the Thermodynamically Stable Diatomic Trication UF³⁺,
Isr. J. Chem., 2023, TBD, TBD.
S. A. Brück, N. Sahu, K. Gaul, R. Berger,
Quasi-relativistic approach to analytical gradients of parity violating potentials,
J. Chem. Phys., 2023, 158, 194109;
Quasi-relativistic approach to analytical gradients of parity violating potentials
arXiv:2102.09897 [physics.chem-ph],
19 Feb 2021.
K. Fehre, G. Nalin, N. M. Novikovskiy, S. Grundmann, G. Kastirke, S. Eckart, F. Trinter, J. Rist, A. Hartung, D. Trabert, Ch. Janke, M. Pitzer, S. Zeller, F. Wiegandt, M. Weller, M. Kircher, M. Hofmann, L. Ph. H. Schmidt, A. Knie, A. Hans, L. Ben Ltaief, A. Ehresmann, R. Berger, H. Fukuzawa, K. Ueda, H. Schmidt-Böcking, J. B. Williams, T. Jahnke, R. Dörner, Ph. V. Demekhin, M. S. Schöffler,
A new route for enantio-sensitive structure determination by photoelectron scattering on molecules in the gas phase,
Phys. Chem. Chem. Phys., 2022, 24, 26458;
Enantiosensitive Structure Determination by Photoelectron Scattering on Single Molecules,
arXiv:22101.03375 [physics.chem-ph],
9 Jan 2021.
M. C. Jofré, K. Kozioł, I. A. Aucar, K. Gaul, R. Berger, G. A. Aucar,
Relativistic and QED corrections to one-bond indirect nuclear spin-spin couplings in X 2+2 and X 2+3 ions (X = Zn, Cd, Hg),
J. Chem. Phys., 2022, 157, 064103;
arXiv:2203.12356 [physics.chem-ph],
23 Mär 2022.
A. Zaitsevskii, L. V. Skripnikov, N. S. Mosyagin, T. Isaev, R. Berger, A. A. Breier, T. F. Giesen
Accurate ab initio calculations of RaF electronic structure appeal to more laser-spectroscopical measurements,
J. Chem. Phys., 2022, 156, 044306;
arXiv:2110.13547 [physics.atom-ph],
26 Oct 2021.
C. Meinert, A. D. Garcia, J. Topin, N. C. Jones, M. Diekmann, R.Berger, L. Nahon, S. V. Hoffmann, U. J. Meierhenrich
Amino acid gas phase circular dichroism and implications for the origin of biomolecular asymmetry,
Nat. Commun., 2022, 13, 502.
(Editors’ Highlights in nature communications)
L. Harken, J. Liu, O. Kreuz, R. Berger, S.-M. Li
Biosynthesis of Guatrypmethine C Implies Two Different Oxidases for exo Double Bond Installation at the Diketopiperazine Ring,
ACS Catal., 2022, 12, 648–654.
F. Danneberg, H. Westemeier, P. Horx, F. Zellmann, K. Dörr, E. Kalden, M. Zeiger, A. Akpinar, R. Berger, M. W. Göbel,
RNA Hydrolysis by Heterocyclic Amidines and Guanidines: Parameters Affecting Reactivity,
Eur. J. Org. Chem., 2021, 46, 6358–6366.
K. Fehre, N. M. Novikovskiy, S. Grundmann, G. Kastirke, S. Eckart, F. Trinter, J. Rist, A. Hartung, D. Trabert, C. Janke, G. Nalin, M. Pitzer, S. Zeller, F. Wiegandt, M. Weller, M. Kircher, M. Hofmann, L. Ph. H. Schmidt, A. Knie, A. Hans, L. Ben Ltaief, A. Ehresmann, R. Berger, H. Fukuzawa, K. Ueda, H. Schmidt-Böcking, J. B. Williams, T. Jahnke, R. Dörner, M. S. Schöffer, Ph. V. Demekhin,
Fourfold Differential Photoelectron Circular Dichroism,
Phys. Rev. Lett., 2021, 127, 103201;
arXiv:2106.14170 [physics.atm-clus],
27 Jun 2021.
S. Y. Buhmann, S. Giesen, M. Diekmann, R. Berger, S. Aull, M. Debatin, P. Zahariev, K. Singer,
Quantum sensing protocol for motionally chiral Rydberg atoms,
New J. Phys., 2021, 23, 083040;
arXiv:2012.12959 [quant-ph],
23 Dez 2020.
B. A. Stickler, M. Diekmann, R. Berger, D. Wang,
Enantiomer superpositions from matter-wave interference of chiral molecules,
Phys. Rev. X, 2021, 11, 031056;
arXiv:2102.06124 [quant-ph],
11 Feb 2021.
(Featured at Physics)
S. M. Udrescu, A. J. Brinson, R. F. Garcia Ruiz, K. Gaul, R. Berger, J. Billowes, C. L. Binnersley, M. L. Bissell, A. A. Breier, K. Chrysalidis, T. E. Cocolios, B. S. Cooper, K. T. Flanagan, T. F. Giesen, R. P. de Groote, S. Franchoo, F. P. Gustafsson, T. A. Isaev, Á. Koszorús, G. Neyens, H. A. Perrett, C. M. Ricketts, S. Rothe, A. R. Vernon, K. D. A. Wendt, F. Wienholtz, S. G. Wilkins, X. F. Yang,
Isotope shifts of radium monofluoride molecules,
Phys. Rev. Lett., 2021, 127, 033001;
arXiv:2105.10549 [nucl-ex],
21 Mai 2021.
(Referenziert in: Viewpoint in Physics)
A. Reckziegel, M. Kour, B. Battistella, S. Mebs, K. Beutert, R. Berger, C. G. Werncke,
High‐Spin Imido Cobalt Complexes with Imidyl Radical Character,
Angew. Chem. Int. Ed., 2021, 60, 15376–15380;
High‐Spin Imido Cobalt Complexes with Imidyl Radical Character
Angew. Chem., 2021, 133, 15504–15508;
chemrxiv:14128709,
1 Mär 2021.
T. A. Isaev, A. V. Zaitsevskii, A. Oleynichenko, E. Eliav, A. A. Breier, T. F. Giesen, R. F. Garcia Ruiz, R. Berger,
Ab initio study and assignment of electronic states in molecular RaCl,
J. Quant. Spectrosc. Radiat. Transf., 2021, 269, 107649;
arXiv:2012.09818 [physics.chem-ph],
17 Dez 2020.
K. Fehre, M. Pitzer, F. Trinter, R. Berger, A. Schießer, H. Schmidt-Böcking, R. Dörner, M. S. Schöffler,
Closed-loop recycling of rare liquid samples for gas-phase experiments,
Rev. Sci. Inst., 2021, 92, 023205.
A.-K. Hansmann, R. C. Döring, A. Rinn, S. M. Giesen, M. Fey, T. Breuer, R. Berger, G. Witte, S. Chatterjee,
Charge Transfer Excitation and Asymmetric Energy Transfer at the Interface of Pentacene-Perfluoropentacene Heterostacks,
Appl. Mater. Interfaces, 2021, 13, 5284–5292;
Preprint: chemrxiv:13298984,
1 Dez 2020.
N. Sahu, J. O. Richardson, R. Berger,
Instanton calculations of tunneling splittings in chiral molecules,
J. Comput. Chem., 2021, 42, 210–221.
K. Gaul, M. G. Kozlov, T. A. Isaev, R. Berger,
Chiral molecules as sensitive probes for direct detection of P-odd cosmic fields,
Phys. Rev. Lett., 2020, 125, 123004;
Preprint: arXiv:2005.02429 [hep-ph],
5 Mai 2020.
K. Gaul, M. G. Kozlov, T. A. Isaev, R. Berger,
Parity nonconserving interactions of electrons in chiral molecules with cosmic fields,
Phys. Rev. A, 2020, 102, 032816;
Preprint: arXiv:2005.03938 [physics.chem-ph],
8 Mai 2020.
A.-K. Hansmann, R. Berger,
Variation of the Fine-Structure Constant in Model Systems for Singlet Fission,
J. Phys. Chem. A, 2020, 124, 6682–6687.
K. Gaul, R. Berger,
Quasi-relativistic study of nuclear electric quadrupole coupling constants in chiral molecules containing heavy elements,
Mol. Phys., 2020, 118, e1797199.
R. F. Garcia Ruiz, R. Berger, J. Billowes, C. L. Binnersley, M. L. Bissell, A. A. Breier, A. J. Brinson, K. Chrysalidis, T. E. Cocolios, B. S. Cooper, K. T. Flanagan, T. F. Giesen, R. P. de Groote, S. Franchoo, F. P. Gustafsson, T. A. Isaev, Á. Koszorús, G. Neyens, H. A. Perrett, C. M. Ricketts, S. Rothe, L. Schweikhard, A. R. Vernon, K. D. A. Wendt, F. Wienholtz, S. G. Wilkins & X. F. Yang,
Spectroscopy of short-lived radioactive molecules,
Nature, 2020, 581, 396–400;
Preprint: arxiv.org/abs/1910.13416 [physics.chem-ph],
29 Oct 2019.
(Referenziert in Chemistry World, Frankfurter Allgemeine Zeitung: Natur und Wissenschaft / Wissen, Physics Today, The Analytical Scientist and RT)
A. Kastner, G. Koumarianou, P. Glodic, P. C. Samartzis, N. Ladda, S. T. Ranecky, T. Ring, V. Sudheendran, C. Witte, H. Braun, H.-G. Lee, A. Senftleben, R. Berger, G. Barratt Park, T. Schäfer and T. Baumert,
High-resolution resonance-enhanced multiphoton photoelectron circular dichroism,
Phys. Chem. Chem. Phys., 2020, 22, 7404–7411;
Preprint: arXiv:2001.11741 [physics.chem-ph],
31 Jan 2020.
K. Gaul and R. Berger,
Toolbox approach for quasi-relativistic calculation of molecular properties for precision tests of fundamental physics,
J. Chem. Phys., 2020, 152, 044101;
Preprint: arXiv:1907.10432 [physics.chem-ph],
24 Jul 2019.
K. Gaul, R. Berger,
Ab initio study of parity and time-reversal violation in laser-coolable triatomic molecules,
Phys. Rev. A, 2020, 101, 012508;
Preprint: arXiv:1811.05749 [physics.chem-ph],
14 Nov 2018.
S. I. Ivlev, K. Gaul, M. Chen., A. J. Karttunen, R. Berger and F. Kraus,
Synthesis of [Br₃][MF₆] (M = Sb, Ir), Quantum Chemical Study of [Br₃]⁺ Structure, Bonding, and Relativistic Effects compared to [XBr₂]⁺ (X = Br, I, At, Ts) and [TsZ₂]⁺ (Z = F, Cl, Br, I, At, Ts),
Chem. Eur. J., 2019, 25, 5793–5802.
K. Gaul, S. Marquardt, T. A. Isaev and R. Berger,
Systematic study of relativistic and chemical enhancements of P,T-odd effects in polar diatomic radicals,
Phys. Rev. A, 2019, 99, 032509.
Preprint: arXiv:1805.05494 [physics.atom-ph],
14 Mai 2018.
K. Fehre, S. Eckart, M. Kunitski, M. Pitzer, S. Zeller, C. Janke, D. Trabert, J. Rist, M. Weller, A. Hartung, L. Ph. H. Schmidt, T. Jahnke, R. Berger, R. Dörner and M. S. Schöffler,
Enantioselective fragmentation of an achiral molecule in a strong laser field ,
Sci. Adv., 2019, 5, eaau7923.
(Featured at Chemistry World)
R. Berger and J. Stohner,
Parity Violation,
WIREs Comput. Mol. Sci., 2019, 9, e1396.
M. Pitzer, R. Berger, J. Stohner, R. Dörner and M. Schöffler,
Investigating absolute stereochemical configuration with Coulomb Explosion Imaging,
Chimia, 2018, 72, 384–388.
T. A. Isaev and R. Berger,
Towards ultracold chiral molecules,
Chimia, 2018, 72, 375–378.
N. Gürlebeck, L. Wörner, T. Schuldt, K. Döringshoff, K. Gaul, D. Gerardi, A. Grenzebach, N. Jha, E. Kovalchuk, A. Resch, T. Wendrich, R. Berger, S. Herrmann, U. Johann, M. Krutzik, A. Peters, E. M. Rasel and C. Braxmaier,
BOOST: A satellite mission to test Lorentz invariance using high-performance optical frequency references,
Phys. Rev. D, 2018, 97, 124051;
Preprint: arXiv:1805.01265 [gr-qc],
3 Mai 2018.
K. Fehre, D. Trojanowskaja, J. Gatzke, M. Kunitski, F. Trinter, S. Zeller, L. Ph. H. Schmidt, J. Stohner, R. Berger, A. Czasch, O. Jagutzki, T. Jahnke, R. Dörner and M. S. Schöffler,
Absolute ion detection efficiencies of microchannel plates and funnel microchannel plates for multi-coincidence detection,
Rev. Sci. Inst., 2018, 89, 045112;
Preprint: arXiv:1803.08380 [physics.ins-det],
22 Mär 2018.
G. Frenking, L. Zhao, I. Fernandez, R. Berger, M. Zhou and D. Jiang,
Barium as honorary transition metal in action: Experimental and theoretical study of [Ba(CO)]⁺ and [Ba(CO)]^- ,
Angew. Chem. Int. Ed., 2018, 57, 3974–3980; Corrigendum;
Barium as honorary transition metal in action: Experimental and theoretical study of [Ba(CO)]⁺ and [Ba(CO)]^- ,
Angew. Chem., 2018, 130, 4038–4044; Berichtigung.
J. Huh and R. Berger,
Cumulant expansion for fast estimate of non-Condon effects in vibronic transition profiles,
Sci. Rep., 2017, 7, 17561;
Preprint: arXiv:1111.3052 [physics.chem-ph],
13 Nov 2011.
M. Tia, M. Pitzer, G. Kastirke, J. Gatzke, H.-K. Kim, F. Trinter, J. Rist, A. Hartung, D. Trabert, J. Siebert, K. Henrichs, J. Becht, S. Zeller, H. Gassert, F. Wiegandt, R. Wallauer, A. Kuhlins, C. Schober, T. Bauer, N. Wechselberger, P. Burzynski, J. Neff, M. Weller, D. Metz, M. Kircher, M. Waitz, J. B. Williams, L. Ph. H. Schmidt, A. D. Müller, A. Knie, A. Hans, L. B. Ltaief, A. Ehresmann, R. Berger, H. Fukuzawa, K. Ueda, H. Schmidt-Böcking, R. Dörner, T. Jahnke, P. V. Demekhin and M. Schöffler,
Observation of enhanced chiral asymmetries in the inner-shell photoionization of uniaxially oriented methyloxirane enantiomers,
J. Phys. Chem. Lett., 2017, 8, 2780–2786;
Preprint: arXiv:1609.03828 [physics.chem-ph],
13 Sep 2016.
K. Gaul and R. Berger,
Zeroth order regular approximation approach to electric dipole moment interactions of the electron,
J. Chem. Phys., 2017, 147, 014109;
Preprint: arXiv:1703.06838 [physics.chem-ph],
9 Mär 2017.
R. Einholz, T. Fang, R. Berger, P. Grüninger, A. Früh, T. Chassé, R. F. Fink and H. Bettinger,
Heptacene: Characterization in Solution, in the Solid State, and in Films,
J. Am. Chem. Soc., 2017, 139, 4435–4442.
R. E. Goetz, T. A. Isaev, B. Nikoobakht, R. Berger and C. P. Koch,
Theoretical description of circular dichroism in photoelectron angular distributions of randomly oriented chiral molecules after multi-photon photoionization,
J. Chem. Phys., 2017, 146, 024306;
Preprint: arXiv:1606.04436 [quant-ph],
14 Jun 2016.
M. Pitzer, G. Kastirke, P. Burzynski, M. Weller, D. Metz, J. Neff, M. Waitz, F. Trinter, L. Ph. H. Schmidt, Joshua B. Williams, T. Jahnke, H. Schmidt-Böcking, R. Berger, R. Dörner and M. Schöffler,
Stereochemical configuration and selective excitation of the chiral molecule halothane,
J. Phys. B, 2016, 49, 234001;
Preprint: arXiv:1609.07913 [physics.chem-ph],
26 Sep 2016.
(Featured at IOP Publishing).
M. Pitzer, G. Kastirke, M. Kunitski, T. Jahnke, T Bauer, C. Goihl, F. Trinter, C. Schober, K. Henrichs, J. Becht, S. Zeller, H. Gassert, M. Waitz, A. Kuhlins, H. Sann, F. Sturm, F. Wiegandt, R. Wallauer, L. Ph. H. Schmidt, A. S. Johnson, M. Mazenauer, B. Spenger, S. Marquardt, S. Marquardt, H. Schmidt-Böcking, J. Stohner, R. Dörner, M. S. Schöffler and R. Berger,
Absolute configuration from different multifragmentation pathways in light-induced Coulomb Explosion Imaging,
ChemPhysChem, 2016, 17, 2465–2472;
including front cover picture and title story.
M. Klues, P. Jerabek, T. Breuer, M. Oehzelt, K. Hermann, R. Berger and G. Witte,
Understanding the F1s NEXAFS Dichroism in Fluorinated Organic Semiconductors,
J. Phys. Chem. C, 2016, 120, 12693–12705.
T. A. Isaev and R. Berger,
Polyatomic candidates for cooling of molecules with lasers from simple theoretical concepts,
Phys. Rev. Lett. 2016, 116, 063006;
Preprint: arXiv:1504.08326 [physics.chem-ph],
13 Mai 2015.
K. Hofmann, N. Kalyon, C. Kapfenberger, L. Lamontagne, S. Zarrini, R. Berger, R. Seshadri, B. Albert,
Metastable Ni₇B₃ - a new paramagnetic boride from solution chemistry, its crystal structure and magnetic properties,
Inorg. Chem. 2015, 54, 10873–10877.
L. H. Finger, F. Wohde, E. I. Grigoryev, A.-K. Hansmann, R. Berger, B. Roling and J. Sundermeyer,
Access to pure and highly volatile hydrochalcogenide ionic liquids,
Chem. Comm. 2015, 51, 16169–16172.
A. D. Kudashov, A. N. Petrov, L. V. Skripnikov, N. S. Mosyagin, T. A. Isaev, R. Berger and A. V. Titov,
Coupled-cluster study of radium monofluoride, RaF, as a candidate to search for P- and T,P-violation effects,
Phys. Rev. A, 2014, 90, 052513.
Preprint: arXiv:1405.6391 [physics.atom-ph],
25 Mai 2014.
P. Meier, D. Oschetzki, R. Berger and G. Rauhut,
Transformation of potential energy surfaces for estimating isotopic shifts in anharmonic vibrational frequency calculations,
J. Chem. Phys., 2014, 140, 184111.
T. A. Isaev and R. Berger,
Periodic trends in parity-violating hyperfine coupling constants of open-shell diatomic molecules,
J. Mol. Spectrosc., 2014, 300, 26–30.
S. Nahrwold, R. Berger and P. A. Schwerdtfeger,
Parity violation in nuclear magnetic resonance frequencies of chiral tetrahedral tungsten complexes NWXYZ (X, Y, Z = H, F, Cl, Br or I),
J. Chem. Phys., 2014, 140, 024305.
Preprint: arXiv:1305.3963 [physics.quant-ph],
17 Mai 2013.
E. Fink, A. Schießer, R. Berger and M. C. Holthausen,
Fragmentation Reactions of Si₂Cl₆^+· in the Gas Phase – A Quantum-Chemical and Mass-Spectrometric Assessment,
Int. J. Mass. Spectrom., 2013, 354–355, 378–390.
M. Pitzer, M. Kunitski, A. S. Johnson, T. Jahnke, H. Sann, F. Sturm, L. Ph. H. Schmidt, H. Schmidt-Böcking, R. Dörner, J. Stohner, J. Kiedrowski, M. Reggelin, S. Marquardt, A. Schießer, R. Berger and M. S. Schöffler,
Direct Determination of Absolute Molecular Stereochemistry in Gas Phase by Coulomb Explosion Imaging,
Science, 2013, 341, 1096–1100.
(Featured at Chemistry World and Notizen aus der Chemie, Nachr. Chem., 2013, 61, 1090).
F. Hobi, R. Berger and J. Stohner,
Investigation of Parity Violation in Nuclear Spin-Rotation Interaction of Fluorooxirane,
Mol. Phys., 2013, 111, 2345–2362.
T.A. Isaev and R. Berger,
Electron correlation and nuclear charge dependence of parity-violating properties in open-shell diatomic molecules,
Phys. Rev. A, 2012, 86, 062515;
Preprint: arXiv:1206.6013 [physics.chem-ph],
26 Jun 2012.
A. Boländer, D. Kieser, C. Voss, S. Bauer, C. Schön, S. Burgold, T. Bittner, J. Hölzer, R. Heyny-von Haußen, G. Mall, V. Goetschy, C. Czech, H. Knust, R. Berger, J. Herms, I. Hilger and B. Schmidt,
Bis(arylvinyl)pyrazines, -pyrimidines and -pyridazines as Imaging Agents for Tau Fibrils and β-Amyloid Plaques in Alzheimer's Disease Models,
J. Med. Chem., 2012, 55, 9170–9180.
R. Berger, J. Courtieu, R.R. Gil, C. Griesinger, M. Köck, P. Lesot, B. Luy, D. Merlet, A. Navarro-Vazquez, M. Reggelin, U.M. Reinscheid, C.M Thiele and M. Zweckstetter,
Is Enantiomer Assignment Possible by NMR Spectroscopy Using Residual Dipolar Couplings from Chiral Nonracemic Alignment Media? - A Critical Assessment,
Angew. Chem. Int. Ed., 2012, 51, 8388–8391;
Is Enantiomer Assignment Possible by NMR Spectroscopy Using Residual Dipolar Couplings from Chiral Nonracemic Alignment Media? - A Critical Assessment,
Angew. Chem., 2012, 124, 8512–8515.
F. Trinter, L.Ph.H. Schmidt, T. Jahnke, M.S. Schöffler, O. Jagutzki, A. Czasch, J. Lower, T.A. Isaev, R. Berger, A.L. Landers, Th. Weber, R. Dörner and H. Schmidt-Böcking,
Multi fragment vector correlation imaging - A search for hidden dynamical symmetries in many-particle molecular fragmentation processes,
Mol. Phys., 2012, 110, 1863–1872.
F. Dommert, K. Wendler, R. Berger, L. Delle Site and C. Holm,
Force fields for studying structure and dynamics of ionic liquids - a critical review of recent developments,
ChemPhysChem, 2012, 13, 1625–1637.
A. Köhn, G. Diezemann, R. Berger and T. Basché,
Kommentar zu: H. Mustroph, S. Ernst "Das Franck-Condon-Prinzip",
Chiuz, 2012, 46, 117–118.
H. Elgavi, C. Krekeler, R. Berger and D. Avnir,
Chirality in Copper Nanoalloy Clusters,
J. Phys. Chem. C, 2012, 116, 330–335.
K. Wendler, F. Dommert, Y-Y. Zhao, R. Berger, C. Holm and L. Delle Site
Ionic liquids studied across different scales: a computational perspective,
Faraday Discuss., 2012, 154, 111–132.
K. Wendler, S. Zahn, F. Dommert, R. Berger, B. Kirchner, C. Holm and L. Delle Site
Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond,
J. Chem. Theory Comput., 2011, 7, 3040–3044.
J. Huh and R. Berger,
Application of time-independent cumulant expansion to calculation of Franck-Condon profiles for large molecular systems,
Faraday Discuss., 2011, 150, 363–373.
E. Rezabal, J. Gauss, J.M. Matxain, R. Berger, M. Diefenbach and M. Holthausen,
Quantum chemical assessment of the binding energy of CuO⁺,
J. Chem. Phys., 2011, 134, 064304.
T.A. Isaev, S. Hoekstra and R. Berger,
Lasercooled RaF as a promising candidate to measure molecular parity violation,
Phys. Rev. A, 2010, 82, 052521;
Preprint: arXiv:1007.1788v1 [physics.chem-ph],
11 Jul 2010.
J. Schmidt, C. Krekeler, F. Dommert, Y. Zhao, R. Berger, L. Delle Site and C. Holm,
Ionic Charge Reduction and Atomic Partial Charges from First-Principles Calculations of 1,3-Dimethylimidazolium Chloride,
J. Phys. Chem. B, 2010, 114, 6150–6155.
S. Coriani, T. Kjærgaard, P. Jørgensen, K. Ruud, J. Huh and R. Berger,
An Atomic-Orbital-Based Lagrangian Approach for Calculating Geometric Gradients of Linear Response Properties,
J. Chem. Theor. Comput., 2010, 6, 1028–1047.
J. Huh, M. Neff, G. Rauhut and R. Berger,
Franck-Condon profiles in photodetachment-photoelectron spectra of HS₂⁻ and DS₂⁻ based on vibrational configuration interaction wavefunctions,
Mol. Phys., 2010, 108, 409–423.
F. Dommert, J. Schmidt, C. Krekeler, Y.Y. Zhao, R. Berger, L. Delle Site and C. Holm,
Towards multiscale modeling of ionic liquids: From electronic structure to bulk properties,
J. Mol. Liquids, 2010, 152, 2–8.
F.P. Diehl, C. Roos, H.-C. Jankowiak, R. Berger, A. Köhn, G. Diezemann and T. Basché,
Combined Experimental and Theoretical Study of the Vibronic Spectra of Perylenecarboximides,
J. Phys. Chem. B, 2010, 114, 1638–1647.
C. Krekeler, F. Dommert, J. Schmidt, Y.Y. Zhao, C. Holm, R. Berger and L. Delle Site,
Electrostatic properties of liquid 1,3-dimethylimidazolium chloride: role of local polarization and effect of the bulk,
Phys. Chem. Chem. Phys., 2010, 12, 1817–1821.
D. Yan, M.D. Thomson, M. Backer, M. Bolte, R. Hahn, R. Berger, W. Fann, H.G. Roskos and N. Auner,
Synthesis, Structure, Photoluminescence and Photoreactivity of 2,3-Diphenyl-4-neopentyl-1-silacyclobut-2-enes,
Chem. Eur. J., 2009, 15, 8625–8645.
C.M. Thiele, V. Schmidts, B. Böttcher, I. Louzao, R. Berger, A. Maliniak and B. Stevensson,
On the Treatment of Conformational Flexibility when using Residual Dipolar Couplings for Structure Determination,
Angew. Chem. Int. Ed., 2009, 48, 6708–6712;
On the Treatment of Conformational Flexibility when using Residual Dipolar Couplings for Structure Determination,
Angew. Chem., 2009, 121, 6836–6840.
S. Nahrwold and R. Berger,
Zeroth order regular approximation approach to parity violating nuclear magnetic resonance shielding tensors,
J. Chem. Phys., 2009, 130, 214101.
F. Dommert, J. Schmidt, B. Qiao, Y. Zhao, C. Krekeler, L. Delle Site, R. Berger and C. Holm,
A comparative study of two classical force fields on statics and dynamics of [EMIM][BF₄] investigated via MD simulations,
J. Chem. Phys., 2008, 129, 224501.
C. Krekeler, J. Schmidt, Y.Y. Zhao, B. Qiao, R. Berger, C. Holm and L. Delle Site,
Study of 1,3-dimethylimidazolium chloride with electronic structure methods and force field approaches,
J. Chem. Phys., 2008, 129, 174503.
R. Berger,
Breit interaction contribution to parity violating potentials in chiral molecules containing light nuclei,
J. Chem. Phys., 2008, 129, 154105.
B. Qiao, C. Krekeler, R. Berger, L. Delle Site and C. Holm,
Effect of Anions on Static Orientational Correlations, Hydrogen Bonds and Dynamics in Ionic Liquids: A Simulational Study,
J. Phys. Chem. B, 2008, 112, 1743–1751.
H.-C. Jankowiak, J.L. Stuber and R. Berger,
Vibronic transitions in large molecular systems: Rigorous prescreening conditions for Franck-Condon factors,
J. Chem. Phys., 2007, 127, 234101.
R. Berger and J.L. Stuber,
Electroweak interactions in chiral molecules: Two-component density functional theory study of vibrational frequency shifts in polyhalomethanes,
Mol. Phys., 2007, 105, 41–49.
G. Laubender and R. Berger,
Electroweak quantum chemistry for nuclear-magnetic-resonance-shielding constants: Impact of electron correlation,
Phys. Rev. A, 2006, 74, 032105.
A.A. Fokin, P.R. Schreiner, R. Berger, G.H. Robinson, P. Wei and C.F. Campana,
Pseudotetrahedral Polyhalocubanes: Synthesis, Structures, and Parity Violating Energy Differences,
J. Am. Chem. Soc., 2006, 128, 5332–5333.
(Research Highlight in Nature, 2006, 441, 5).
C.M. Thiele, A. Marx, R. Berger, J. Fischer, M. Biel and A. Giannis,
Determination of the relative configuration of a five-membered lactone from residual dipolar couplings,
Angew. Chem. Int. Ed., 2006, 45, 4455–4460;
Bestimmung der relativen Konfiguration eines Fünfring-Lactons aus dipolaren Restkopplungen,
Angew. Chem., 2006, 118, 4566–4571.
J. Roithova, D. Schröder, R. Berger and H. Schwarz,
Doubly protonated benzene in the gas phase,
J. Phys. Chem. A, 2006, 110, 1650–1657.
R. Berger, G. Laubender, M. Quack, A. Sieben, J. Stohner and M. Willeke,
Isotopic chirality and molecular parity violation,
Angew. Chem. Int. Ed., 2005, 44, 3623–3626;
Isotopeneffekte durch Paritätsverletzung in chiralen Molekülen,
Angew. Chem., 2005, 117, 3689–3693.
R. Berger and C. van Wüllen,
Density functional calculations of molecular parity violating effects within the zeroth order regular approximation,
J. Chem. Phys., 2005, 122, 134316.
R. Berger, N. Langermann and C. van Wüllen,
Zeroth order regular approximation approach to molecular parity violation,
Phys. Rev. A, 2005, 71, 042105.
J. Roithova, D. Schröder, J. Loos, H. Schwarz, H.-C. Jankowiak, R. Berger, R. Thissen and O. Dutuit,
Revision of the second ionization energy of toluene,
J. Chem. Phys., 2005, 122, 094306.
A. Bakasov, R. Berger, T.K. Ha and M. Quack,
Ab initio calculation of parity violating potential energy hypersurfaces of chiral molecules,
Int. J. Quantum Chem., 2004, 99, 393–407.
D. Schröder, J. Loos, M. Engeser, H. Schwarz, H.-C. Jankowiak, R. Berger, R. Thissen, O. Dutuit, J. Döbler and J. Sauer,
Ion chemistry of OV(OCH₃)₃ in the gas phase: Molecular cations and anions and their primary fragmentations,
Inorg. Chem., 2004, 43, 1976–1985.
R. Berger,
Do heavy nuclei see light at the end of the tunnel?,
Angew. Chem. Int. Ed., 2004, 43, 398–401;
Sehen schwere Kerne Licht am Ende des Tunnels?,
Angew. Chem., 2004, 116, 402–405.
R. Berger, M. Quack, A. Sieben and M. Willeke,
Parity violating potentials for the torsional motion of methanol (CH₃OH) and its isotopomers (CD₃OH, ¹³CH₃OH, CH₃OD, CH₃OT, CHD₂OH and CHDTOH),
Helv. Chim. Acta, 2003, 86, 4048–4060.
G. Laubender and R. Berger,
Ab initio calculation of parity-violating chemical shifts in NMR spectra of chiral molecules,
ChemPhysChem, 2003, 4, 395–399.
R. Berger,
Molecular parity violation in electronically excited states,
Phys. Chem. Chem. Phys., 2003, 5, 12–17.
R. Berger, M. Gottselig, M. Quack and M. Willeke,
Parity violation dominates the dynamics of chirality in dichlorodisulfane,
Angew. Chem. Int. Ed., 2001, 40, 4195–4198;
Paritätsverletzung dominiert die Dynamik der Chiralität in Dischwefeldichlorid,
Angew. Chem., 2001, 113, 4342–4345.
R. Berger, M. Quack and J. Stohner,
Parity violation in fluorooxirane,
Angew. Chem. Int. Ed., 2001, 40, 1667–1670;
Paritätsverletzung in Fluoroxiran,
Angew. Chem., 2001, 113, 1716–1719.
R. Berger, M. Quack and G.S. Tschumper,
Electroweak quantum chemistry for possible precursor molecules in the evolution of biomolecular homochirality,
Helv. Chim. Acta, 2000, 83, 1919–1950.
R. Berger and M. Quack,
Electroweak quantum chemistry of alanine: Parity violation in gas and condensed phases,
ChemPhysChem, 2000, 1, 57–60.
(Highlighted in ChemPhysChem, 2001, 2, 409–410).
R. Berger and M. Quack,
Multi-configuration linear response approach to the calculation of parity violating potentials in polyatomic molecules,
J. Chem. Phys., 2000, 112, 3148–3158.
R. Berger, C. Fischer and M. Klessinger,
Calculation of the vibronic fine structure in electronic spectra at higher temperatures. 1. Benzene and pyrazine,
J. Phys. Chem. A, 1998, 102, 7157–7167.
R. Berger and M. Klessinger,
Algorithms for exact counting of transition energy levels at different temperatures,
J. Comput. Chem., 1997, 18, 1312–1319.

Buchkapitel (von Experten begutachtet)

R. Berger,
Parity-violation effects in molecules ,
in: P. Schwerdtfeger (Ed.), Relativistic Electronic Structure Theory, Part 2, Applications, Elsevier, Netherlands, 2004, 188–288.

Konferenzveröffentlichungen (von Experten begutachtet)

J. Huh and R. Berger,
Coherent state-based generating function approach for Franck-Condon transitions and beyond,
J. Phys. Conf. Ser., 2012, 380, 012019.

Konferenzveröffentlichungen (nicht von Experten begutachtet)

T.A. Isaev, S. Nahrwold, Y. Xiao and R. Berger,
Parity violating effects in diatomic molecules and some group-theoretical considerations on chirality in polyatomic molecules,
AIP Conf. Proc., 2012, 1504, 461–464.
R. Berger and J.L. Stuber,
Electroweak quantum chemistry: Do it Breit,
Lecture Series on Computer and Computational Sciences, 2006, 7, 858–864.

Andere Veröffentlichungen

K. Gaul, R. Berger,
Eine Sonde in der Falle,
Physik Journal., 2021, 20, 22–23.
J. Roithova, M. Schlangen, R. Berger, M. Beyer,
Personal foreword on Helmut Schwarz Honor Issue,
Int. J. Mass Spectrom., 2019, 436, 23–24.
J. Andrä, R. Berger, U. Jahn, M. Kaiser, T. Kottke, K. Müller-Buschbaum, A. Schnepf and A. J. von Wangelin,
Notizen aus der Chemie,
Nachr. Chem., 2012, 60, 106–108.
J. Andrä, R. Berger, U. Jahn, M. Kaiser, J. Küpper, K. Müller-Buschbaum, C. Remenyi, A. Schnepf, A. J. von Wangelin and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2011, 59, 930–932.
J. Andrä, R. Berger, U. Jahn, M. Kaiser, J. Küpper, K. Müller-Buschbaum, B. Plietker, C. Remenyi, A. Schnepf and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2011, 59, 810–812.
J. Andrä, R. Berger, U. Jahn, M. Kaiser, K. Müller-Buschbaum, A. Schnepf and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2011, 59, 698–700.
J. Andrä, R. Berger, U. Jahn, J. Küpper, M. Kaiser, K. Müller-Buschbaum, A. Schnepf and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2011, 59, 600–602.
J. Andrä, R. Berger, U. Jahn, J. Küpper, M. Kaiser, K. Müller-Buschbaum, B. Plietker, A. Schnepf and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2011, 59, 216–218.
J. Andrä, R. Berger, U. Jahn, J. Küpper, M. Kaiser, K. Müller-Buschbaum, B. Plietker, A. Schnepf and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2011, 59, 106–108.
J. Andrä, R. Berger, U. Jahn, M. Kaiser, J. Küpper, A. Schnepf and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2010, 58, 1100–1102.
J. Huh and R. Berger,
Trendbericht Theoretische Chemie 2009 - Vibronische Strukturmethoden,,
Nachr. Chem., 2010, 58, 331–333.
J. Andrä, R. Berger, U. Jahn, M. Kaiser, J. Küpper, K. Müller-Buschbaum, A. Schnepf and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2010, 58, 218–220.
J. Andrä, R. Berger, K. Müller-Buschbaum, U. Jahn, M. Kaiser, J. Küpper, B. Plietker, N. Schaschke, A. Schnepf and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2010, 58, 6–8.
J. Andrä, R. Berger, K. Müller-Buschbaum, U. Jahn, J. Küpper, B. Plietker, N. Schaschke, A. Schnepf and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2009, 57, 1170–1172.
R. Berger, K. Müller-Buschbaum, F. Hammar, U. Jahn, B. Plietker, N. Schaschke, A. Schnepf, A Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2009, 57, 372–374.
R. Berger,
Gebrochene Symmetrie und molekulare Systeme,
Nachr. Chem., 2009, 57, 132–136.
R. Berger, K. Müller-Buschbaum, U. Jahn, B. Plietker, N. Schaschke, A. Schnepf, A. Terfort and R. Willumeit,
Notizen aus der Chemie,
Nachr. Chem., 2009, 57, 6–8.
R. Berger, U. Jahn, B. Plietker, A. Schnepf and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2008, 56, 1104–1105.
R. Berger, K. Müller-Buschbaum, U. Jahn, B. Plietker, A. Schnepf, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2008, 56, 864–865.
R. Berger, U. Jahn, B. Plietker, A. Schnepf, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2008, 56, 508–510.
R. Berger, M.C. Holthausen, U. Jahn, A. Schnepf, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2008, 56, 402–404.
R. Berger, U. Jahn, B. Plietker, A. Schnepf, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2008, 56, 230-232.
R. Berger, U. Jahn, P. Roesky, A. Schnepf, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2007, 55, 1180–1181.
R. Berger, U. Jahn, P. Roesky, A. Schnepf, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2007, 55, 956–957.
R. Berger, U. Jahn, P. Roesky, A. Schnepf, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2007, 55, 616–617.
R. Berger, U. Jahn, B. Plietker, P. Roesky, A. Schnepf, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2007, 55, 490–491.
R. Berger, U. Jahn, B. Plietker, P. Roesky, A. Schnepf, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2007, 55, 218–219.
R. Berger, U. Jahn, B. Plietker, P. Roesky, A. Schnepf and A. Terfort
Notizen aus der Chemie,
Nachr. Chem., 2007, 55, 118–119.
R. Berger, U. Jahn, B. Plietker, P. Roesky, A. Schnepf, S.L.M. Schroeder and A. Terfort
Notizen aus der Chemie,
Nachr. Chem., 2007, 55, 6–7.
R. Berger, B. Plietker, P. Roesky, A. Schnepf, S.L.M. Schroeder and A. Terfort
Notizen aus der Chemie,
Nachr. Chem., 2006, 54, 1184–1185.
R. Berger, H. Braunschweig, U. Jahn, B. Plietker, P. Roesky, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2006, 54, 950–951.
R. Berger, H. Braunschweig, U. Jahn, B. Plietker, P. Roesky, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2006, 54, 842–843.
R. Berger,
New theories for chemistry. By Jan C. A. Boeyens., Book review ,
Angew. Chem. Int. Ed., 2006, 45, 5243–5244;
New theories for chemistry. Von Jan C. A. Boeyens., Buch-Rezension ,
Angew. Chem., 2006, 118, 5369–5370.
R. Berger, H. Braunschweig, U. Jahn, B. Plietker, P. Roesky, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2006, 54, 734–735.
R. Berger, H. Braunschweig, J. Eichler, U. Jahn, P. Roesky, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2006, 54, 374–375.
R. Berger, H. Braunschweig, J. Eichler, M. Holthausen, U. Jahn, B. Plietker, P. Roesky, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2006, 54, 208–209.
R. Berger, H. Braunschweig, M. Holthausen, U. Jahn, B. Plietker, P. Roesky, S.L.M. Schroeder, A. Terfort and O. Weichold,
Notizen aus der Chemie,
Nachr. Chem., 2006, 54, 98–99.
R. Berger,
Computational chemistry. Introduction to the theory and applications of molecular and quantum mechanics. By Errol G. Lewars., Book review ,
Angew. Chem. Int. Ed., 2004, 43, 4979–4980;
Computational chemistry. Introduction to the theory and applications of molecular and quantum mechanics. Von Errol G. Lewars., Buch-Rezension ,
Angew. Chem., 2004, 116, 5087–5089.
H.-C. Jankowiak,
Theoretische Untersuchung zur Schwingungsfeinstruktur in Elektronenspektren,
Master thesis, Technical University of Berlin, Germany, 2003.
R. Berger,
Visual quantum mechanics, Website review ,
Angew. Chem. Int. Ed., 2002, 41, 1969;
Interaktive Quantenmechanik, Web-Rezension ,
Angew. Chem., 2002, 114, 2067.
G. Laubender,
Theoretische Untersuchung von paritätsverletzenden Effekten in Molekülen,
Master thesis, Technical University of Berlin, Germany, 2002.
R. Berger,
Theoretische Untersuchung zur Temperaturabhängigkeit der Schwingungsfeinstrukturen,
Dissertation, University of Münster, Germany, 1997.
R. Berger,
Untersuchung vibronischer Kopplungseffekte einfacher aromatischer Systeme mit Hilfe der MNDOC-CI-Methode,
Master thesis, University of Münster, Germany, 1993.