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There are 7145 results for: content related to: Statistical Mechanics in Atomic-Scale Simulations

  1. Microcanonical thermodynamics of first order phase transitions studied in the potts model

    Annalen der Physik

    Volume 508, Issue 5, July 1996, Pages: 446–452, D. H. E. Gross, A. Ecker and X. Z. Zhang

    Version of Record online : 31 AUG 2010, DOI: 10.1002/andp.2065080503

  2. Monte Carlo Sampling for Classical Trajectory Simulations

    Advances in Chemical Physics: Monte Carlo Methods in Chemical Physics, Volume 105

    Gilles H. Peslherbe, Haobin Wang, William L. Hase, Pages: 171–201, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470141649.ch6

  3. Anharmonic Effect of the Unimolecular Dissociation of HFCO and DFCO

    Journal of the Chinese Chemical Society

    Volume 62, Issue 7, July 2015, Pages: 582–591, Jingjun Zhong, Weiwen Wang, Qian Li, Wenwen Xia, Ying Shao, Li Yao and S. H. Lin

    Version of Record online : 12 JUN 2015, DOI: 10.1002/jccs.201400127

  4. Projection-Operator Method

    Beyond Equilibrium Thermodynamics

    Hans Christian Öttinger, Pages: 213–259, 2005

    Published Online : 27 JAN 2005, DOI: 10.1002/0471727903.ch6

  5. Direct chemical dynamics simulations: coupling of classical and quasiclassical trajectories with electronic structure theory

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 3, Issue 3, May/June 2013, Pages: 296–316, Manikandan Paranjothy, Rui Sun, Yu Zhuang and William L. Hase

    Version of Record online : 16 NOV 2012, DOI: 10.1002/wcms.1132

  6. Anharmonic Effect of N-Propyl Peroxy Dissociation

    Journal of the Chinese Chemical Society

    Volume 63, Issue 12, December 2016, Pages: 1038–1050, Liguo Song, Xinxiang Pan, Qian Li, Yang Ding, Li Yao and Sheng-Hsien Lin

    Version of Record online : 18 NOV 2016, DOI: 10.1002/jccs.201600091

  7. Comparison between hydrogen-transfer and fluoro-transfer reactions on the microcanonical unimolecular rate constants

    Chinese Journal of Chemistry

    Volume 13, Issue 5, September 1995, Pages: 391–395, Wen-Lin Feng, Shao-Wen Zhang, Yan Wang, Jun-Nan Wu and Zong-He Li

    Version of Record online : 27 AUG 2010, DOI: 10.1002/cjoc.19950130503

  8. A metropolis Monte Carlo method for computing microcanonical statistical rate constants

    Journal of Computational Chemistry

    Volume 12, Issue 3, April 1991, Pages: 391–401, Randall S. Dumont

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540120313

  9. Statistical Mechanics, Classical

    Standard Article

    Encyclopedia of Applied Physics

    J. R. Dorfman

    Published Online : 15 APR 2003, DOI: 10.1002/3527600434.eap470

  10. On the clustering phase transition in self-gravitating N-body systems

    Monthly Notices of the Royal Astronomical Society

    Volume 328, Issue 1, November 2001, Pages: 339–352, Monica Cerruti-Sola, Piero Cipriani and Marco Pettini

    Version of Record online : 7 JUL 2008, DOI: 10.1046/j.1365-8711.2001.04896.x

  11. Anharmonic Effect of the Unimolecular Isomerization/Decomposition of Benzyne

    Journal of the Chinese Chemical Society

    Volume 62, Issue 4, April 2015, Pages: 355–365, Qian Li, Li Yao and S. H. Lin

    Version of Record online : 16 MAR 2015, DOI: 10.1002/jccs.201400345

  12. Unimolecular Reaction Dynamics

    Standard Article

    Encyclopedia of Computational Chemistry

    Sean C. Smith

    Published Online : 15 APR 2002, DOI: 10.1002/0470845015.cua001

  13. Anharmonic Effect of the Unimolecular Dissociation of Ethyl Radical

    Journal of the Chinese Chemical Society

    Volume 61, Issue 3, March 2014, Pages: 309–319, Qian Li, Li Yao, Ying Shao and Kun Yang

    Version of Record online : 2 JAN 2014, DOI: 10.1002/jccs.201300277

  14. The S-Matrix Formulation of the Cluster Expansion in Statistical Mechanics

    Fortschritte der Physik

    Volume 25, Issue 1-12, 1977, Pages: 579–648, P. Fré

    Version of Record online : 27 MAR 2006, DOI: 10.1002/prop.19770250116

  15. Information, Memory and Statistical Theories of Elementary Chemical Reactions

    Berichte der Bunsengesellschaft für physikalische Chemie

    Volume 80, Issue 11, November 1976, Pages: 1140–1149, M. Quack and J. Troe

    Version of Record online : 5 MAY 2010, DOI: 10.1002/bbpc.19760801112

  16. Ensembles in classical statistical mechanics and their unification via nonlinear field theory

    International Journal of Quantum Chemistry

    Volume 100, Issue 4, 2004, Pages: 442–447, A. Yu Zakharov

    Version of Record online : 24 NOV 2003, DOI: 10.1002/qua.10808

  17. Influence of Translational Energy Upon Reactive Scattering Cross Section: Neutral-Neutral Collisions

    Advances in Chemical Physics, Volume 66

    I. Prigogine, Stuart A. Rice, Pages: 213–335, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470142929.ch3

  18. Efficient combination of Wang–Landau and transition matrix Monte Carlo methods for protein simulations

    Journal of Computational Chemistry

    Volume 28, Issue 3, February 2007, Pages: 715–726, Ruben G. Ghulghazaryan, Shura Hayryan and Chin-Kun Hu

    Version of Record online : 28 DEC 2006, DOI: 10.1002/jcc.20597

  19. Classical Trajectory Simulations: Initial Conditions

    Standard Article

    Encyclopedia of Computational Chemistry

    William L. Hase

    Published Online : 15 APR 2002, DOI: 10.1002/0470845015.csa002m

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    Nonadiabatic transition state theory: Application to intersystem crossings in the active sites of metal-sulfur proteins

    International Journal of Quantum Chemistry

    Volume 116, Issue 10, May 15, 2016, Pages: 750–761, Aleksandr O. Lykhin, Danil S. Kaliakin, Gwen E. dePolo, Alexander A. Kuzubov and Sergey A. Varganov

    Version of Record online : 20 MAR 2016, DOI: 10.1002/qua.25124