ELECTROSTATIC INTERACTION OF A SOLUTE WITH A CONTINUUM - IMPROVED DESCRIPTION OF THE CAVITY AND OF THE SURFACE CAVITY BOUND CHARGE-DISTRIBUTION

被引：389

作者：

PASCUALAHUIR, JL

SILLA, E

TOMASI, J

BONACCORSI, R

机构：

[1] UNIV PISA,DEPARTIMENTO CHIM,I-56100 PISA,ITALY

[2] CNR,IST CHIM QUANTIST ENERGET MOLEC,I-56100 PISA,ITALY

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1987年 / 8卷 / 06期

关键词：

D O I：

10.1002/jcc.540080605

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：778 / 787

页数：10

共 30 条

[1] THERMODYNAMICS OF SOLUTION OF GASEOUS TETRAMETHYLTIN IN 36 SOLVENTS - COMPARISON OF EXPERIMENTAL RESULTS WITH CAVITY-THEORY CALCULATIONS
ABRAHAM, MH
NASEHZADEH, A
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1981, 77 : 321 - 339
[2] ALAGONA G, 1986, J MOL STRUC-THEOCHEM, V135, P39
[3] ALAGONA G, 1986, J MOL STRUC-THEOCHEM, V137, P263
[4] [Anonymous], MOL INTERACTIONS
[5] STRUCTURAL DEFORMATIONS OF THE DNA DOUBLE HELIX IN THE 1ST STAGES OF DNA-TRANSCRIPTION STUDIED BY A SIMPLE-MODEL
BONACCORSI, R
SCROCCO, E
TOMASI, J
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (04) : 717 - 735
[6] ABINITIO EVALUATION OF ABSORPTION AND EMISSION TRANSITIONS FOR MOLECULAR SOLUTES, INCLUDING SEPARATE CONSIDERATION OF ORIENTATIONAL AND INDUCTIVE SOLVENT EFFECTS
BONACCORSI, R
CIMIRAGLIA, R
TOMASI, J
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (04) : 567 - 577
[7] ON THE FREE-ENERGY CHANGES OF A SOLUTION IN LIGHT-ABSORPTION OR EMISSION PROCESSES
BONACCORSI, R
CIMIRAGLIA, R
TOMASI, J
[J]. CHEMICAL PHYSICS LETTERS, 1983, 99 (01) : 77 - 82
[8] ON A SEMICLASSICAL INTERPRETATION OF INTERMOLECULAR AND INTRAMOLECULAR INTERACTIONS
BONACCORSI, R
GHIO, C
TOMASI, J
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 26 (05) : 637 - 686
[9] SIMPLE THEORETICAL-MODELS FOR BIOCHEMICAL SYSTEMS, WITH APPLICATIONS TO DNA
BONACCORSI, R
SCROCCO, E
TOMASI, J
[J]. JOURNAL OF BIOSCIENCES, 1985, 8 (3-4) : 627 - 634
[10] 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

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