A SUPERTENSOR FORMALISM FOR SOLUTE CONTINUUM SOLVENT INTERACTIONS WITH AN ARBITRARILY SHAPED CAVITY .2. PRELIMINARY APPLICATIONS TO MODEL SYSTEMS

被引：19

作者：

DRUMMOND, MLJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 08期

关键词：

D O I：

10.1063/1.454682

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

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页码：5021 / 5026

页数：6

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共 15 条

[1] BONACCORSI R, 1984, J MOL STRUC-THEOCHEM, V16, P197, DOI 10.1016/0166-1280(84)80055-X
[2] CONFORMATIONAL ENERGY OF GLYCINE IN AQUEOUS-SOLUTIONS AND RELATIVE STABILITY OF THE ZWITTERIONIC AND NEUTRAL FORMS - AN ABINITIO STUDY
BONACCORSI, R
PALLA, P
TOMASI, J
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (07) : 1945 - 1950
[3] BOTTCHER CJF, 1973, THEORY ELECTRIC POLA, V1, P208
[4] A SUPERTENSOR FORMALISM FOR SOLUTE CONTINUUM SOLVENT INTERACTIONS WITH AN ARBITRARILY SHAPED CAVITY .1. THEORY AND IMPLEMENTATION
DRUMMOND, MLJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (08) : 5014 - 5020
[5] DRUMMOND MLJ, 1986, THESIS U LONDON ENGL
[6] AN APPLICATION OF A NEW PHASE DETERMINATION PROCEDURE TO STRUCTURE OF CYCLO(HEXAGLYCYL) HEMIHYDRATE
KARLE, IL
KARLE, J
[J]. ACTA CRYSTALLOGRAPHICA, 1963, 16 (10): : 969 - &
[7] INTERPRETATION OF PROTEIN STRUCTURES - ESTIMATION OF STATIC ACCESSIBILITY
LEE, B
RICHARDS, FM
[J]. JOURNAL OF MOLECULAR BIOLOGY, 1971, 55 (03) : 379 - &
[8] ELECTROSTATIC INTERACTION OF A SOLUTE WITH A CONTINUUM - A DIRECT UTILIZATION OF ABINITIO MOLECULAR POTENTIALS FOR THE PREVISION OF SOLVENT EFFECTS
MIERTUS, S
SCROCCO, E
TOMASI, J
[J]. CHEMICAL PHYSICS, 1981, 55 (01) : 117 - 129
[9] ENERGY PARAMETERS IN POLYPEPTIDES .I. CHARGE DISTRIBUTIONS AND HYDROGEN BOND
POLAND, D
SCHERAGA, HA
[J]. BIOCHEMISTRY, 1967, 6 (12) : 3791 - &
[10] POLARIZATION FUNCTIONS FOR FIRST AND SECOND ROW ATOMS IN GAUSSIAN TYPE MO-SCF CALCULATIONS
ROOS, B
SIEGBAHN, P
[J]. THEORETICA CHIMICA ACTA, 1970, 17 (03): : 199 - &