THE USE OF THE EFFECTIVE FRAGMENT POTENTIAL FOR CARRYING OUT AB-INITIO CALCULATIONS IN THE CONDENSED-PHASE WITH APPLICATIONS TO AQUEOUS PEPTIDE SYSTEMS

被引：0

作者：

DAY, PN ^{[1
]}

PACHTER, R ^{[1
]}

ADAMS, WW ^{[1
]}

机构：

[1] WRIGHT LAB, MAT DIRECTORATE, WRIGHT PATTERSON AFB, OH USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1995年 / 209卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：231 / POLY

共 35 条

[1] Condensed-phase chemistry with the Effective Fragment Potential method
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[2] Condensed-phase chemistry with the Effective Fragment Potential method
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[3] AB-INITIO EFFECTIVE POTENTIALS FOR USE IN MOLECULAR CALCULATIONS
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JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06): : 2685 - &
[4] A NEW AB-INITIO POTENTIAL FOR THE NEON DIMER AND ITS APPLICATION IN MOLECULAR-DYNAMICS SIMULATIONS OF THE CONDENSED-PHASE
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GERBER, S
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[5] NON NUMERICAL TECHNIQUES FOR CARRYING OUT AND INTERPRETING AB-INITIO MOLECULAR CALCULATIONS
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[6] AB-INITIO EFFECTIVE POTENTIALS FOR USE IN POTENTIAL-ENERGY CURVE AND SURFACE CALCULATIONS
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[7] Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Amino Acids and Peptides
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[8] FE AND NI AB-INITIO EFFECTIVE POTENTIALS FOR USE IN MOLECULAR CALCULATIONS
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CHEMICAL PHYSICS LETTERS, 1974, 28 (04) : 457 - 462
[9] Dispersion in combined ab initio/effective fragment potential systems
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ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
[10] Quantum effects in ab-initio calculations of rate constants for chemical reactions occuring in the condensed phase
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Theoretical Chemistry Accounts, 2006, 116 : 18 - 30

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