ACS Symposium Series - Modeling the Hydrogen Bond
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Published By American Chemical Society

0841229813, 0841214700

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Computation of Intermolecular Interactions with a Combined Quantum Mechanical and Classical Approach

ACS Symposium Series - Modeling the Hydrogen Bond ◽

10.1021/bk-1994-0569.ch002 ◽

1994 ◽

pp. 8-21 ◽

Author(s):

Jiali Gao

Keyword(s):

Intermolecular Interactions ◽

Quantum Mechanical ◽

Classical Approach

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Inclusion of Explicit Solvent Molecules in a Self-Consistent-Reaction Field Model of Solvation

ACS Symposium Series - Modeling the Hydrogen Bond ◽

10.1021/bk-1994-0569.ch003 ◽

1994 ◽

pp. 22-35 ◽

Author(s):

T. A. Keith ◽

M. J. Frisch

Keyword(s):

Field Model ◽

Reaction Field ◽

Explicit Solvent ◽

Self Consistent ◽

Solvent Molecules

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Modeling the Hydrogen Bond with Transferable Atom Equivalents

ACS Symposium Series - Modeling the Hydrogen Bond ◽

10.1021/bk-1994-0569.ch010 ◽

1994 ◽

pp. 152-174 ◽

Author(s):

Curt M. Breneman ◽

Marlon Rhem ◽

Tracy R. Thompson ◽

Mei Hsu Dung

Keyword(s):

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Effective Fragment Method for Modeling Intermolecular Hydrogen-Bonding Effects on Quantum Mechanical Calculations

ACS Symposium Series - Modeling the Hydrogen Bond ◽

10.1021/bk-1994-0569.ch009 ◽

1994 ◽

pp. 139-151 ◽

Author(s):

Jan H. Jensen ◽

Paul N. Day ◽

Mark S. Gordon ◽

Harold Basch ◽

Drora Cohen ◽

...

Keyword(s):

Hydrogen Bonding ◽

Quantum Mechanical ◽

Intermolecular Hydrogen Bonding ◽

Quantum Mechanical Calculations ◽

Fragment Method

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Role of Nonbonded Interactions in Determining Solution Conformations of Oligosaccharides

ACS Symposium Series - Modeling the Hydrogen Bond ◽

10.1021/bk-1994-0569.ch016 ◽

1994 ◽

pp. 252-268 ◽

Author(s):

Robert J. Woods ◽

Bert Fraser-Reid ◽

Raymond A. Dwek ◽

Christopher J. Edge

Keyword(s):

Nonbonded Interactions ◽

Solution Conformations

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Effect of Hydrogen Bonding on Molecular Electrostatic Potential

ACS Symposium Series - Modeling the Hydrogen Bond ◽

10.1021/bk-1994-0569.ch004 ◽

1994 ◽

pp. 36-59 ◽

Author(s):

M. Dominic Ryan

Keyword(s):

Hydrogen Bonding ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential

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Search for Analytical Functions To Simulate Proton Transfers in Hydrogen Bonds

ACS Symposium Series - Modeling the Hydrogen Bond ◽

10.1021/bk-1994-0569.ch008 ◽

1994 ◽

pp. 125-138 ◽

Author(s):

Steve Scheiner ◽

Xiaofeng Duan

Keyword(s):

Hydrogen Bonds ◽

Analytical Functions ◽

Proton Transfers

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Author Index

ACS Symposium Series - Modeling the Hydrogen Bond ◽

10.1021/bk-1994-0569.ix001 ◽

1994 ◽

pp. 288-288

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A Brief History of the Hydrogen Bond

ACS Symposium Series - Modeling the Hydrogen Bond ◽

10.1021/bk-1994-0569.ch001 ◽

1994 ◽

pp. 1-5 ◽

Author(s):

Douglas A. Smith

Keyword(s):

Hydrogen Bond ◽

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Comparisons of Hydrogen Bonding in Small Carbohydrate Molecules by Diffraction and MM3(92) Calculations

ACS Symposium Series - Modeling the Hydrogen Bond ◽

10.1021/bk-1994-0569.ch015 ◽

1994 ◽

pp. 235-251 ◽

Author(s):

A. D. French ◽

D. P. Miller

Keyword(s):

Hydrogen Bonding

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