| Description |
1 online resource (518 pages) |
| Contents |
Reviews in Computational Chemistry Volume 23; Preface; Contents; Contributors; Contributors to Previous Volumes; 1. Linear-Scaling Methods in Quantum Chemistry; 2. Conical Intersections in Molecular Systems; 3. Variational Transition State Theory with Multidimensional Tunneling; 4. Coarse-Grain Modeling of Polymers; 5. Analysis of Chemical Information Content Using Shannon Entropy; 6. Applications of Support Vector Machines in Chemistry; 7. How Computational Chemistry Became Important in the Pharmaceutical Industry; Author Index; Subject Index |
| Summary |
THIS VOLUME, LIKE THOSE PRIOR TO IT, FEATURES CHAPTERS BY EXPERTS IN VARIOUS FIELDS OF COMPUTATIONAL CHEMISTRY. Volume 23 COVERS LINEAR SCALING METHODS FOR QUANTUM CHEMISTRY, VARIATIONAL TRANSITION STATE THEORY, COARSE GRAIN MODELING OF POLYMERS, SUPPORT VECTOR MACHINES, CONICAL INTERSECTIONS, ANALYSIS OF INFORMATION CONTENT USING SHANNON ENTROPY, AND HISTORICAL INSIGHTS INTO HOW COMPUTING EVOLVED IN THE PHARMACEUTICAL INDUSTRY |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Print version record |
| Subject |
Chemistry -- Data processing.
|
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Chemistry -- Mathematics.
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Cheminformatics.
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Cheminformatics
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Chemistry -- Data processing
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Chemistry -- Mathematics
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| Form |
Electronic book
|
| Author |
Cundari, Thomas R
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Boyd, Donald B
|
| ISBN |
9780470116432 |
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0470116439 |
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9780470082010 |
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0470082011 |
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