Format:
1 Online-Ressource (316 pages)
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illustrations
ISBN:
9780841214705
Series Statement:
ACS symposium series 569
Note:
"Developed from a symposium sponsored by the Division of Computers in Chemistry at the 206th National Meeting of the American Chemical Society, Chicago, Illinois, August 22-27, 1993."
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Distributed in print by Oxford University Press
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Includes bibliographical references and index
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A Brief History of the Hydrogen Bond /
,
Computation of Intermolecular Interactions with a Combined Quantum Mechanical and Classical Approach /
,
Inclusion of Explicit Solvent Molecules in a Self-Consistent-Reaction Field Model of Solvation /
,
Effect of Hydrogen Bonding on Molecular Electrostatic Potential /
,
Competing Intra- and Intermolecular Hydrogen Bonds for Organic Solutes in Aqueous Solution /
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Energetics and Structure in Model Neutral, Anionic, and Cationic Hydrogen-Bonded Complexes: Combined Ab Initio SCF/MP2 Supermolecular, Density Functional, and Molecular Mechanics Investigation /
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SAM1: General Description and Performance Evaluation for Hydrogen Bonds /
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Search for Analytical Functions To Simulate Proton Transfers in Hydrogen Bonds /
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Effective Fragment Method for Modeling Intermolecular Hydrogen-Bonding Effects on Quantum Mechanical Calculations /
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Modeling the Hydrogen Bond with Transferable Atom Equivalents /
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Analysis of Hydrogen Bonding and Stability of Protein Secondary Structures in Molecular Dynamics Simulation /
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Unusual Cross-Strand Hydrogen Bonds in Oligopurine · Oligopyrimidine Duplexes: Computer Graphics Presentations of Hydrogen Bonds in DNA Molecular Dynamics Simulation /
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STRIPS: An Algorithm for Generating Two-Dimensional Hydrogen-Bond Topology Diagrams for Proteins /
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Role of Specific Intermolecular Interactions in Modulating Spectroscopic Properties of Photoreactive Compounds Bound to Proteins /
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Comparisons of Hydrogen Bonding in Small Carbohydrate Molecules by Diffraction and MM3(92) Calculations /
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Role of Nonbonded Interactions in Determining Solution Conformations of Oligosaccharides /
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Modeling Hydrogen Bond Energies in Pseudoladder Polymers Based on the Polybenzobisazole Backbone /
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Borohydrides as Novel Hydrogen-Bond Acceptors /
Additional Edition:
ISBN 9780841229815
Additional Edition:
ISBN 0841229813
Additional Edition:
Erscheint auch als ISBN 9780841229815
Additional Edition:
Erscheint auch als ISBN 0841229813
Language:
English
DOI:
10.1021/bk-1994-0569
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