Reviews in Computational Chemistry
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15

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7

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Published By John Wiley & Sons, Inc.

9780470125786, 0470125780, 9780471187288, 0471187283

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Molecular Surfaces

Reviews in Computational Chemistry ◽

10.1002/9780470125786.ch7 ◽

2007 ◽

pp. 265-294 ◽

Author(s):

Paul G. Mezey

Keyword(s):

Molecular Surfaces

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Appendix: Compendium of Software for Molecular Modeling

Reviews in Computational Chemistry ◽

10.1002/9780470125786.ch12 ◽

2007 ◽

pp. 383-392 ◽

Author(s):

Donald B. Boyd

Keyword(s):

Molecular Modeling

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Successes of Computer-Assisted Molecular Design

Reviews in Computational Chemistry ◽

10.1002/9780470125786.ch10 ◽

2007 ◽

pp. 355-371 ◽

Author(s):

Donald B. Boyd

Keyword(s):

Molecular Design ◽

Computer Assisted

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Semiempirical Molecular Orbital Methods

Reviews in Computational Chemistry ◽

10.1002/9780470125786.ch2 ◽

2007 ◽

pp. 45-81 ◽

Author(s):

James J. P. Stewart

Keyword(s):

Molecular Orbital ◽

Semiempirical Molecular Orbital

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Chemometrics and Multivariate Analysis in Analytical Chemistry

Reviews in Computational Chemistry ◽

10.1002/9780470125786.ch5 ◽

2007 ◽

pp. 169-212 ◽

Author(s):

Peter C. Jurs

Keyword(s):

Analytical Chemistry ◽

Multivariate Analysis

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Computer Simulation of Biomolecular Systems Using Molecular Dynamics and Free Energy Perturbation Methods

Reviews in Computational Chemistry ◽

10.1002/9780470125786.ch8 ◽

2007 ◽

pp. 295-320 ◽

Author(s):

Terry P. Lybrand

Keyword(s):

Molecular Dynamics ◽

Computer Simulation ◽

Free Energy ◽

Perturbation Methods ◽

Free Energy Perturbation ◽

Biomolecular Systems ◽

Energy Perturbation

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The Application of Quantitative Design Strategies in Pesticide Discovery

Reviews in Computational Chemistry ◽

10.1002/9780470125786.ch4 ◽

2007 ◽

pp. 119-168 ◽

Author(s):

Ernest L. Plummer

Keyword(s):

Design Strategies ◽

Quantitative Design

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Perspectives on Ab Initio Calculations

Reviews in Computational Chemistry ◽

10.1002/9780470125786.ch11 ◽

2007 ◽

pp. 373-382 ◽

Author(s):

Ernest R. Davidson

Keyword(s):

Ab Initio Calculations ◽

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Basis Sets for Ab Initio Molecular Orbital Calculations and Intermolecular Interactions

Reviews in Computational Chemistry ◽

10.1002/9780470125786.ch1 ◽

2007 ◽

pp. 1-43 ◽

Author(s):

David Feller ◽

Ernest R. Davidson

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Intermolecular Interactions ◽

Molecular Orbital Calculations

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Properties of Molecules by Direct Calculation

Reviews in Computational Chemistry ◽

10.1002/9780470125786.ch3 ◽

2007 ◽

pp. 83-118 ◽

Author(s):

Clifford E. Dykstra ◽

Joseph D. Augspurger ◽

Bernard Kirtman ◽

David J. Malik

Keyword(s):

Direct Calculation

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