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A COMPUTATION PROCEDURE FOR THE DISPERSION COMPONENT OF THE INTERACTION ENERGY IN CONTINUUM SOLUTE SOLVENT MODELS
被引:30
作者
:
AGUILAR, MA
论文数:
0
引用数:
0
h-index:
0
AGUILAR, MA
DELVALLE, FJO
论文数:
0
引用数:
0
h-index:
0
DELVALLE, FJO
机构
:
来源
:
CHEMICAL PHYSICS
|
1989年
/ 138卷
/ 2-3期
关键词
:
D O I
:
10.1016/0301-0104(89)87139-3
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
收藏
页码:327 / 336
页数:10
相关论文
共 27 条
[1]
AGUILAR M, IN PRESS
[2]
SOLUTE-SOLVENT INTERACTIONS - A SIMPLE PROCEDURE FOR CONSTRUCTING THE SOLVENT CAVITY FOR RETAINING A MOLECULAR SOLUTE
AGUILAR, MA
论文数:
0
引用数:
0
h-index:
0
AGUILAR, MA
DELVALLE, FJO
论文数:
0
引用数:
0
h-index:
0
DELVALLE, FJO
[J].
CHEMICAL PHYSICS,
1989,
129
(03)
: 439
-
450
[3]
THEORETICAL STUDY OF SOLVENT EFFECTS ON CONFORMATIONAL STABILITY OF ACETYLCHOLINE
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
机构:
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
BEVERIDGE, DL
KELLY, MM
论文数:
0
引用数:
0
h-index:
0
机构:
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
KELLY, MM
RADNA, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
RADNA, RJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(12)
: 3769
-
3778
[4]
CONFORMATIONAL ENERGY OF GLYCINE IN AQUEOUS-SOLUTIONS AND RELATIVE STABILITY OF THE ZWITTERIONIC AND NEUTRAL FORMS - AN ABINITIO STUDY
BONACCORSI, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,IST CHIM PHYS,I-56100 PISA,ITALY
BONACCORSI, R
PALLA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,IST CHIM PHYS,I-56100 PISA,ITALY
PALLA, P
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,IST CHIM PHYS,I-56100 PISA,ITALY
TOMASI, J
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(07)
: 1945
-
1950
[5]
CABRAL BJC, 1984, CR ACAD SCI II, V298, P675
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[7]
DITCHFIELD R, 1972, J CHEM PHYS, V56, P2257
[8]
SOLVENT EFFECTS ON CIS-TRANS AZOBENZENE ISOMERIZATION - A DETAILED APPLICATION OF A THEORY OF SOLVENT EFFECTS ON MOLECULAR ASSOCIATION
HALICIOGLU, T
论文数:
0
引用数:
0
h-index:
0
机构:
Sterling Chemistry Laboratory Yale University, New Haven, Connecticut
HALICIOGLU, T
SINANOGL.O
论文数:
0
引用数:
0
h-index:
0
机构:
Sterling Chemistry Laboratory Yale University, New Haven, Connecticut
SINANOGL.O
[J].
ANNALS OF THE NEW YORK ACADEMY OF SCIENCES,
1969,
158
(A1)
: 308
-
+
[9]
Herzberg G., 1950, MOL SPECTRA MOL STRU
[10]
Hirschfelder J.O., 1964, MOL THEORY GASES LIQ, pC1954
←
1
2
3
→
共 27 条
[1]
AGUILAR M, IN PRESS
[2]
SOLUTE-SOLVENT INTERACTIONS - A SIMPLE PROCEDURE FOR CONSTRUCTING THE SOLVENT CAVITY FOR RETAINING A MOLECULAR SOLUTE
AGUILAR, MA
论文数:
0
引用数:
0
h-index:
0
AGUILAR, MA
DELVALLE, FJO
论文数:
0
引用数:
0
h-index:
0
DELVALLE, FJO
[J].
CHEMICAL PHYSICS,
1989,
129
(03)
: 439
-
450
[3]
THEORETICAL STUDY OF SOLVENT EFFECTS ON CONFORMATIONAL STABILITY OF ACETYLCHOLINE
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
机构:
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
BEVERIDGE, DL
KELLY, MM
论文数:
0
引用数:
0
h-index:
0
机构:
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
KELLY, MM
RADNA, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
CITY UNIV NEW YORK, HUNTER COLL, DEPT CHEM, NEW YORK, NY 10021 USA
RADNA, RJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(12)
: 3769
-
3778
[4]
CONFORMATIONAL ENERGY OF GLYCINE IN AQUEOUS-SOLUTIONS AND RELATIVE STABILITY OF THE ZWITTERIONIC AND NEUTRAL FORMS - AN ABINITIO STUDY
BONACCORSI, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,IST CHIM PHYS,I-56100 PISA,ITALY
BONACCORSI, R
PALLA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,IST CHIM PHYS,I-56100 PISA,ITALY
PALLA, P
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,IST CHIM PHYS,I-56100 PISA,ITALY
TOMASI, J
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(07)
: 1945
-
1950
[5]
CABRAL BJC, 1984, CR ACAD SCI II, V298, P675
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[7]
DITCHFIELD R, 1972, J CHEM PHYS, V56, P2257
[8]
SOLVENT EFFECTS ON CIS-TRANS AZOBENZENE ISOMERIZATION - A DETAILED APPLICATION OF A THEORY OF SOLVENT EFFECTS ON MOLECULAR ASSOCIATION
HALICIOGLU, T
论文数:
0
引用数:
0
h-index:
0
机构:
Sterling Chemistry Laboratory Yale University, New Haven, Connecticut
HALICIOGLU, T
SINANOGL.O
论文数:
0
引用数:
0
h-index:
0
机构:
Sterling Chemistry Laboratory Yale University, New Haven, Connecticut
SINANOGL.O
[J].
ANNALS OF THE NEW YORK ACADEMY OF SCIENCES,
1969,
158
(A1)
: 308
-
+
[9]
Herzberg G., 1950, MOL SPECTRA MOL STRU
[10]
Hirschfelder J.O., 1964, MOL THEORY GASES LIQ, pC1954
←
1
2
3
→