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Reviews in Computational Chemistry最新文献

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Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry Kohn-Sham密度泛函理论:预测和理解化学
Reviews in Computational Chemistry Pub Date : 2007-01-05 DOI: 10.1002/9780470125922.CH1
F. Bickelhaupt, E. Baerends
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引用次数: 840
Theoretical Methods for Computing Enthalpies of Formation of Gaseous Compounds 计算气态化合物生成焓的理论方法
Reviews in Computational Chemistry Pub Date : 2007-01-05 DOI: 10.1002/9780470125922.CH3
L. Curtiss, P. Redfern, D. Frurip
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引用次数: 31
Molecular Models of Water: Derivation and Description 水的分子模型:推导和描述
Reviews in Computational Chemistry Pub Date : 2007-01-05 DOI: 10.1002/9780470125908.CH4
A. Wallqvist, R. Mountain
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引用次数: 81
The Simulation of Ionic Charge Transport in Biological Ion Channels: An Introduction to Numerical Methods 生物离子通道中离子电荷传输的模拟:数值方法导论
Reviews in Computational Chemistry Pub Date : 2006-02-10 DOI: 10.1002/0471780367.CH4
M. Saraniti, S. Aboud, R. Eisenberg
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引用次数: 37
Data Sources and Computational Approaches for Generating Models of Gene Regulatory Networks 基因调控网络模型的数据来源和计算方法
Reviews in Computational Chemistry Pub Date : 2005-01-27 DOI: 10.1002/0471720895.CH6
B. Aguda, Georghe Craciun, R. Cetin-Atalay
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引用次数: 3
New Developments in the Theoretical Description of Charge‐Transfer Reactions in Condensed Phases 凝聚相中电荷转移反应理论描述的新进展
Reviews in Computational Chemistry Pub Date : 2003-02-21 DOI: 10.1002/0471433519.CH4
D. Matyushov, G. Voth
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引用次数: 7
Computations in Treating Fullerenes and Carbon Aggregates 处理富勒烯和碳聚集体的计算
Reviews in Computational Chemistry Pub Date : 1996-01-01 DOI: 10.1002/9780470125854.CH1
Z. Slanina, Shyi-Long Lee, C. Yu
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引用次数: 35
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