Artikel

Yang, Yong-Biao ; Hao, Qiang ; Müller-Plathe, Florian ; Böhm, Michael C. (2020)
Monte Carlo Simulations of SO2, H2S, and CO2 Adsorption in Charged Single-Walled Carbon Nanotube Arrays.
In: The Journal of Physical Chemistry C, 124 (10)
doi: 10.1021/acs.jpcc.9b10424
Artikel, Bibliographie

Rondina, Gustavo G. ; Böhm, Michael C. ; Müller-Plathe, Florian (2020)
Predicting the Mobility Increase of Coarse-Grained Polymer Models from Excess Entropy Differences.
In: Journal of Chemical Theory and Computation, 16 (3)
doi: 10.1021/acs.jctc.9b01088
Artikel, Bibliographie

Liu, Shengyuan ; Böhm, Michael C. ; Müller-Plathe, Florian (2016)
Role of the interfacial area for structure and dynamics in polymer nanocomposites: molecular dynamics simulations of polystyrene with silica nanoparticles of different shapes.
In: Materials Research Express, 3 (10)
Artikel, Bibliographie

Langeloth, Michael ; Sugii, Taisuke ; Böhm, Michael C. ; Müller-Plathe, Florian (2015)
The glass transition in cured epoxy thermosets: A comparative molecular dynamics study in coarse-grained and atomistic resolution.
In: The Journal of chemical physics, 143 (24)
Artikel, Bibliographie

Böhm, Michael C. ; Ramirez, Rafael ; Schulte, Joachim (2007)
On the influence of vibrational modes and intramolecular isomerization processes on the NMR parameters of bullvalene : A Feynman path integral - ab initio investigation.
In: Chemical Physics, 342
Artikel, Bibliographie

Schulte, Joachim ; Ramirez, Rafael ; Böhm, Michael C. (2006)
Influence of nuclear fluctuations on the NMR parameters of bullvalene : A Feynman path integral - Ab initio study.
In: Chemical Physics Letters, 432
Artikel, Bibliographie

Donald, K. J. ; Böhm, Michael C. ; Lindner, J. J. (2005)
Analysis of competing bonding parameters. Part 2. The structure of halosilanes and halogrermanes (MH4-nXn, n=1-4; M = Si, Ge; X = F, Cl, Br).
In: Journal of Molelcular Structure (Theochem), 713
Artikel, Bibliographie

Böhm, Michael C. ; Schulte, J. (2005)
Direct superconducting pairing : a quantum statistical finite-temperature analysis.
In: Journal of Molecular Structure(Theochem), 722
Artikel, Bibliographie

Ramirez, R. ; Schulte, J. ; Böhm, Michael C. (2005)
Feynman path integral - ab initio study of the isotropic hyperfine coupling constants of the muonium substituted ethyl radical CH(2)MuCH(2).
In: Chemical Physics Letters, 402
Artikel, Bibliographie

Böhm, Michael C. ; Ramirez, R. ; Schulte, J. (2005)
Finite-temperature properties of the muonium substituted ethyl radical CH(2)MuCH(2): nuclear degrees of freedom and hyperfine splitting constants.
In: Molecular Physics, 103
Artikel, Bibliographie

Böhm, Michael C. ; Schulte, J. (2005)
Superconducting first-order pairing: Finite-temperature simulations.
In: International Journal of Quantum Chemistry, 101
Artikel, Bibliographie

Schulte, J. ; Böhm, Michael C. ; Ramirez, R. ; Lopez-Ciudad, T. (2005)
Theoretical study on the nuclear degrees of freedom in the isotropic and anisotropic hyperfine coupling constants of the C2H5 radical : a Feynman path integral-density functional approach.
In: Molecular Physics, 103
Artikel, Bibliographie

Donald, K. J. ; Böhm, Michael C. ; Lindner, H. J. (2004)
Analysis of competing bonding parameters. Part 1. The structure of halomethanes (CH4-nXn, n=1-4, X = F, Cl, Br).
In: Journal of Molecular Structure Theochem, 710
Artikel, Bibliographie

Böhm, Michael C. ; Schulte, J. (2004)
Direct superconducting pairing versus Jahn-Teller distortions; an analysis of a competition.
In: Physica C, 405
Artikel, Bibliographie

Schulte, J. ; Böhm, Michael C. ; Lopez-Ciudad, T. ; Ramirez, R. (2004)
Nuclear degrees of freedom in calculated isotropic hyperfine coupling constants of the ethyl radical : a Feynman path integral - ab initio study.
In: Chemical Physics Letters, 389
Artikel, Bibliographie

Böhm, Michael C. ; Schulte, J. (2004)
Superconducting high-temperature pairing - theoretical considerations on an unusual phenomenon.
In: Physica C, 417
Artikel, Bibliographie

Lopez-Ciudad, T. ; Ramirez, R. ; Schulte, J. ; Böhm, Michael C. (2003)
Anharmonic effects on the structural and vibrational properties of the ethyl radical : a path integral Monte Carlo study.
In: Journal of Chemical Physics, 119
Artikel, Bibliographie

Böhm, Michael C. ; Schulte, Joachim ; Ramírez, Rafael (2002)
Excited state properties of C 6 H 6 and C 6 D 6 studied by Feynman path integral - ab initio simulations.
In: Journal of physical chemistry A, 106
Artikel, Bibliographie

Ramírez, Rafael ; Böhm, Michael C. ; Schulte, Joachim (2002)
Feynman path integral - ab initio investigation of the excited-state properties of benzene.
In: Journal of physics B: atomic, molecular and optical physics, 35
Artikel, Bibliographie

Böhm, Michael C. ; Schulte, Joachim ; Ramírez, Rafael (2002)
On the influence of nuclear fluctuations and calculated NMR shieldings of benzene and ethylene : a Feynman path integral - ab initio investigation.
In: International journal of quantum chemistry, 86
Artikel, Bibliographie

Saal, Christoph ; Böhm, Michael C. ; Haase, W. (1999)
Molecular orbital-theoretical studies of a dinuclear Fe(II)-Fe(III) complex.
In: Inorganica chimica acta, 291
Artikel, Bibliographie

Schulte, Joachim ; Böhm, Michael C. ; Dinse, Klaus-Peter (1998)
Electronic structure of endohedral SC@C82; an ab initio Hartree-Fock analysis.
In: Journal of molecular structure, 427 (1/3)
doi: 10.1016/S0166-1280(97)00349-7
Artikel, Bibliographie

Gruß, Andrea ; Böhm, Michael C. ; Schulte, Joachim ; Dinse, Klaus-Peter (1998)
An ab initio Hartree-Fock investigation of endohedral Sc@C82.
In: Zeitschrift für Naturforschung A, 53 (9)
doi: 10.1515/zna-1998-0913
Artikel, Bibliographie

Schmidt, Roger G. ; Böhm, Michael C. ; Brickmann, Jürgen (1997)
Comparison of the numerical matrix multiplication and quantum Monte Carlo simulations: calculation of spatial delocalization parameters.
In: Chemical Physics Letters, 215 (2)
doi: 10.1016/S0301-0104(96)00358-8
Artikel, Bibliographie

Hafner, Klaus ; Stowasser, Bernd ; Krimmer, Hans-Peter ; Fischer, Stefanie ; Böhm, Michael C. ; Lindner, Hans Jörg (1986)
Synthese und Eigenschaften von 1,3,5,7-Tetra-tert-butyl-s-indacen.
In: Angewandte Chemie, 98 (7)
doi: 10.1002/ange.19860980720
Artikel, Bibliographie

Hafner, Klaus ; Stowasser, Bernd ; Krimmer, Hans-Peter ; Fischer, Stefanie ; Böhm, Michael C. ; Lindner, Hans Jörg (1986)
Synthesis and Properties of 1,3,5,7-Tetra-tert-butyl-s-indacene.
In: Angewandte Chemie International Edition, 25 (7)
doi: 10.1002/anie.198606301
Artikel, Bibliographie

Konferenzveröffentlichung

Schulte, Joachim ; Böhm, Michael C. ; Dinse, Klaus-Peter
Hrsg.: Kuzmany, Hans (1997)
Electronic structure of Sc@C82.
I11th International Winter School on Electronics Properties of Novel Materials. Kirchberg, Tirol (1997)
Konferenzveröffentlichung, Bibliographie