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Number of items: 21.

Yang, Yong-Biao and Hao, Qiang and Müller-Plathe, Florian and 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, (10), 124. American Chemical Society, pp. 5838-5852, ISSN 1932-7447,
DOI: 10.1021/acs.jpcc.9b10424,
[Online-Edition: https://doi.org/10.1021/acs.jpcc.9b10424],
[Article]

Rondina, Gustavo G. and Böhm, Michael C. and Müller-Plathe, Florian (2020):
Predicting the Mobility Increase of Coarse-Grained Polymer Models from Excess Entropy Differences.
In: Journal of Chemical Theory and Computation, (3), 16. pp. 1431-1447, ISSN 1549-9618,
DOI: 10.1021/acs.jctc.9b01088,
[Online-Edition: https://doi.org/10.1021/acs.jctc.9b01088],
[Article]

Liu, Shengyuan and Böhm, Michael C. and 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,
[Online-Edition: http://dx.doi.org/10.1088/2053-1591/3/10/105301],
[Article]

Langeloth, Michael and Sugii, Taisuke and Böhm, Michael C. and 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,
[Online-Edition: http://dx.doi.org/10.1063/1.4937627],
[Article]

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

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

Lopez-Ciudad, T. and Ramirez, R. and Schulte, J. and 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. and Schulte, Joachim and 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 and Böhm, Michael C. and 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. and Schulte, Joachim and 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 and Böhm, Michael C. and Haase, W. (1999):
Molecular orbital-theoretical studies of a dinuclear Fe(II)-Fe(III) complex.
In: Inorganica chimica acta, 291pp. 82-90, [Article]

This list was generated on Tue Oct 20 01:35:31 2020 CEST.