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Number of items: 21.

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), pp. 5838-5852. American Chemical Society, ISSN 1932-7447,
DOI: 10.1021/acs.jpcc.9b10424,
[Article]

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), pp. 1431-1447. ISSN 1549-9618,
DOI: 10.1021/acs.jctc.9b01088,
[Article]

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), ISSN 2053-1591,
[Article]

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), p. 243158. ISSN 0021-9606,
[Article]

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, pp. 1-15. [Article]

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, pp. 579-584. [Article]

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, pp. 215-226. [Article]

Böhm, Michael C. ; Schulte, J. (2005):
Direct superconducting pairing : a quantum statistical finite-temperature analysis.
In: Journal of Molecular Structure(Theochem), 722, pp. 21-39. [Article]

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, pp. 346-351. [Article]

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, pp. 2407-2436. [Article]

Böhm, Michael C. ; Schulte, J. (2005):
Superconducting first-order pairing: Finite-temperature simulations.
In: International Journal of Quantum Chemistry, 101, pp. 411-449. [Article]

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, pp. 105-127. [Article]

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, pp. 1-11. [Article]

Böhm, Michael C. ; Schulte, J. (2004):
Direct superconducting pairing versus Jahn-Teller distortions; an analysis of a competition.
In: Physica C, 405, pp. 1-13. [Article]

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, pp. 367-372. [Article]

Böhm, Michael C. ; Schulte, J. (2004):
Superconducting high-temperature pairing - theoretical considerations on an unusual phenomenon.
In: Physica C, 417, pp. 25-32. [Article]

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, pp. 4328-4338. [Article]

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, pp. 3169-3180. [Article]

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, pp. 2583-2592. [Article]

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, pp. 280-296. [Article]

Saal, Christoph ; Böhm, Michael C. ; Haase, W. (1999):
Molecular orbital-theoretical studies of a dinuclear Fe(II)-Fe(III) complex.
291, In: Inorganica chimica acta, pp. 82-90. [Article]

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