Theory and Applications of the Empirical Valence Bond Approach
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Published By John Wiley & Sons, Ltd

9781119245544, 9781119245391

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Empirical Valence Bond Methods for Exploring Reaction Dynamics in the Gas Phase and in Solution

Theory and Applications of the Empirical Valence Bond Approach ◽

10.1002/9781119245544.ch4 ◽

2017 ◽

pp. 93-119

Author(s):

Jeremy N. Harvey ◽

Michael O'Connor ◽

David R. Glowacki

Keyword(s):

Gas Phase ◽

Valence Bond ◽

Reaction Dynamics ◽

Empirical Valence Bond

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EVB Simulations of the Catalytic Activity of Monoamine Oxidases: From Chemical Physics to Neurodegeneration

Theory and Applications of the Empirical Valence Bond Approach ◽

10.1002/9781119245544.ch8 ◽

2017 ◽

pp. 199-231

Author(s):

Robert Vianello ◽

Janez Mavri

Keyword(s):

Catalytic Activity ◽

Chemical Physics ◽

Monoamine Oxidases

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Empirical Valence-Bond Models Based on Polarizable Force Fields for Infrared Spectroscopy

Theory and Applications of the Empirical Valence Bond Approach ◽

10.1002/9781119245544.ch5 ◽

2017 ◽

pp. 121-144

Author(s):

Florian Thaunay ◽

Florent Calvo ◽

Gilles Ohanessian ◽

Carine Clavaguéra

Keyword(s):

Infrared Spectroscopy ◽

Force Fields ◽

Valence Bond ◽

Polarizable Force Fields ◽

Empirical Valence Bond

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The Empirical Valence Bond Approach as a Tool for Designing Artificial Catalysts

Theory and Applications of the Empirical Valence Bond Approach ◽

10.1002/9781119245544.ch7 ◽

2017 ◽

pp. 173-198

Author(s):

Monika Fuxreiter ◽

Letif Mones

Keyword(s):

Valence Bond ◽

Empirical Valence Bond

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Using Empirical Valence Bond Constructs as Reference Potentials For High-Level Quantum Mechanical Calculations

Theory and Applications of the Empirical Valence Bond Approach ◽

10.1002/9781119245544.ch3 ◽

2017 ◽

pp. 63-92

Author(s):

Nikolay V. Plotnikov

Keyword(s):

Valence Bond ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Empirical Valence Bond ◽

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Index

Theory and Applications of the Empirical Valence Bond Approach ◽

10.1002/9781119245544.index ◽

2017 ◽

pp. 233-241

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Front Matter

Theory and Applications of the Empirical Valence Bond Approach ◽

10.1002/9781119245544.fmatter ◽

2017 ◽

pp. i-xix

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Introduction to the Empirical Valence Bond Approach

Theory and Applications of the Empirical Valence Bond Approach ◽

10.1002/9781119245544.ch2 ◽

2017 ◽

pp. 27-61

Author(s):

Fernanda Duarte ◽

Anna Pabis ◽

Shina Caroline Lynn Kamerlin

Keyword(s):

Valence Bond ◽

Empirical Valence Bond

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Modelling Chemical Reactions Using Empirical Force Fields

Theory and Applications of the Empirical Valence Bond Approach ◽

10.1002/9781119245544.ch1 ◽

2017 ◽

pp. 1-25 ◽

Author(s):

Tibor Nagy ◽

Markus Meuwly

Keyword(s):

Chemical Reactions ◽

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Empirical Valence Bond Simulations of Biological Systems

Theory and Applications of the Empirical Valence Bond Approach ◽

10.1002/9781119245544.ch6 ◽

2017 ◽

pp. 145-171

Author(s):

Avital Shurki

Keyword(s):

Biological Systems ◽

Valence Bond ◽

Empirical Valence Bond

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