Computational Chemistry: Reviews of Current Trends
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Published By WORLD SCIENTIFIC

9789812381163, 9789812776815

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Molecules as Components in Electronic Devices: A First-Principles Study

Computational Chemistry: Reviews of Current Trends ◽

10.1142/9789812776815_0001 ◽

2002 ◽

pp. 1-15 ◽

Cited By ~ 1

Author(s):

Massimiliano Di Ventra

Keyword(s):

First Principles ◽

Electronic Devices ◽

First Principles Study

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FRONT MATTER

Computational Chemistry: Reviews of Current Trends ◽

10.1142/9789812776815_fmatter ◽

2002 ◽

pp. i-vii

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BACK MATTER

Computational Chemistry: Reviews of Current Trends ◽

10.1142/9789812776815_bmatter ◽

2002 ◽

pp. 245-252

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Explicitly Correlated Coupled Cluster R12 Calculations

Computational Chemistry: Reviews of Current Trends ◽

10.1142/9789812776815_0005 ◽

2002 ◽

pp. 131-185 ◽

Cited By ~ 19

Author(s):

Jozef Noga ◽

Pierre Valiron

Keyword(s):

Coupled Cluster ◽

Explicitly Correlated

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Ab initio Direct Molecular Dynamics Studies of Atmospheric Reactions: Interconversion of Nitronium Ion and Nitric Acid in Small Water Clusters

Computational Chemistry: Reviews of Current Trends ◽

10.1142/9789812776815_0006 ◽

2002 ◽

pp. 187-244 ◽

Cited By ~ 1

Author(s):

Yasuyuki Ishikawa ◽

R. C. Binning

Keyword(s):

Molecular Dynamics ◽

Nitric Acid ◽

Ab Initio ◽

Water Clusters ◽

Atmospheric Reactions ◽

Small Water

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Low-Scaling Methods for Electron Correlation

Computational Chemistry: Reviews of Current Trends ◽

10.1142/9789812776815_0003 ◽

2002 ◽

pp. 63-87 ◽

Cited By ~ 4

Author(s):

Svein Saebø

Keyword(s):

Electron Correlation ◽

Scaling Methods

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Tackling DNA with Density Functional Theory: Development and Application of Parallel and Order-N DFT Methods

Computational Chemistry: Reviews of Current Trends ◽

10.1142/9789812776815_0002 ◽

2002 ◽

pp. 17-61

Author(s):

Célia Fonseca Guerra ◽

F. Matthias Bickelhaupt ◽

Evert Jan Baerends ◽

Jaap G. Snijders

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Theory Development ◽

Dft Methods ◽

Functional Theory

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Iterative and Non-iterative Inclusion of Connected Triple Excitations in Coupled-Cluster Methods: Theory and Numerical Comparisons for Some Difficult Examples

Computational Chemistry: Reviews of Current Trends ◽

10.1142/9789812776815_0004 ◽

2002 ◽

pp. 89-130 ◽

Cited By ~ 2

Author(s):

John D. Watts

Keyword(s):

Coupled Cluster ◽

Numerical Comparisons ◽

Coupled Cluster Methods ◽

Cluster Methods

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Computational Chemistry: Reviews of Current TrendsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By WORLD SCIENTIFIC

Molecules as Components in Electronic Devices: A First-Principles Study

FRONT MATTER

BACK MATTER

Explicitly Correlated Coupled Cluster R12 Calculations

Ab initio Direct Molecular Dynamics Studies of Atmospheric Reactions: Interconversion of Nitronium Ion and Nitric Acid in Small Water Clusters

Low-Scaling Methods for Electron Correlation

Tackling DNA with Density Functional Theory: Development and Application of Parallel and Order-N DFT Methods

Iterative and Non-iterative Inclusion of Connected Triple Excitations in Coupled-Cluster Methods: Theory and Numerical Comparisons for Some Difficult Examples

Computational Chemistry: Reviews of Current Trends
Latest Publications