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TRANSFERABILITY TEST OF EPEN/2-TYPE POTENTIAL FUNCTIONS BASED ON QUANTUM-CHEMICAL INTERACTION ENERGIES (QPEN)
被引:15
作者
:
SAUER, J
论文数:
0
引用数:
0
h-index:
0
SAUER, J
SCHRODER, KP
论文数:
0
引用数:
0
h-index:
0
SCHRODER, KP
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1984年
/ 107卷
/ 06期
关键词
:
D O I
:
10.1016/S0009-2614(84)85151-9
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:530 / 534
页数:5
相关论文
共 10 条
[1]
CLEMENTI E, 1980, LECTURE NOTES CHEM, V19
[2]
BONDING ABILITY OF SURFACE SITES ON SILICA AND THEIR EFFECT ON HYDROGEN-BONDS - A QUANTUM-CHEMICAL AND STATISTICAL THERMODYNAMIC TREATMENT
HOBZA, P
论文数:
0
引用数:
0
h-index:
0
机构:
CZECH ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
HOBZA, P
SAUER, J
论文数:
0
引用数:
0
h-index:
0
机构:
CZECH ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
SAUER, J
MORGENEYER, C
论文数:
0
引用数:
0
h-index:
0
机构:
CZECH ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
MORGENEYER, C
HURYCH, J
论文数:
0
引用数:
0
h-index:
0
机构:
CZECH ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
HURYCH, J
ZAHRADNIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
CZECH ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
ZAHRADNIK, R
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1981,
85
(26)
: 4061
-
4067
[3]
REVISED EMPIRICAL POTENTIAL FOR CONFORMATIONAL, INTERMOLECULAR, AND SOLVATION STUDIES .6. TESTING OF PARAMETERS BY APPLICATION TO LIQUID-AMMONIA
KINCAID, RH
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,BAKER LAB CHEM,ITHACA,NY 14853
CORNELL UNIV,BAKER LAB CHEM,ITHACA,NY 14853
KINCAID, RH
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,BAKER LAB CHEM,ITHACA,NY 14853
CORNELL UNIV,BAKER LAB CHEM,ITHACA,NY 14853
SCHERAGA, HA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(05)
: 833
-
838
[4]
A REVISED POTENTIAL FUNCTION FOR THE WATER DIMER IN THE EPEN-2 FORM
MARCHESE, FT
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
MARCHESE, FT
MEHROTRA, PK
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
MEHROTRA, PK
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
BEVERIDGE, DL
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1981,
85
(01)
: 1
-
3
[5]
TRANSFERABLE POTENTIAL FUNCTIONS FROM QUANTUM-MECHANICAL CALCULATIONS OF INTERMOLECULAR INTERACTION ENERGIES
MARCHESE, FT
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,NEW YORK,NY 10021
CUNY HUNTER COLL,NEW YORK,NY 10021
MARCHESE, FT
MEHROTRA, PK
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,NEW YORK,NY 10021
CUNY HUNTER COLL,NEW YORK,NY 10021
MEHROTRA, PK
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,NEW YORK,NY 10021
CUNY HUNTER COLL,NEW YORK,NY 10021
BEVERIDGE, DL
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(14)
: 2592
-
2601
[6]
REVISED EMPIRICAL POTENTIAL FOR CONFORMATIONAL, INTER-MOLECULAR, AND SOLVATION STUDIES .2. PARAMETERIZATION AND TESTING FOR WATER AND SATURATED ORGANIC-MOLECULES
NEMENOFF, RA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
NEMENOFF, RA
SNIR, J
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
SNIR, J
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
SCHERAGA, HA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1978,
82
(23)
: 2504
-
2513
[7]
SAUER J, UNPUB J PHYS CHEM
[8]
SCHRODER KP, 1983, FORTRAN PROGRAM PENO
[9]
REVISED EMPIRICAL POTENTIAL FOR CONFORMATIONAL, INTER-MOLECULAR, AND SOLVATION STUDIES .1. EVALUATION OF PROBLEM AND DESCRIPTION OF MODEL
SNIR, J
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
SNIR, J
NEMENOFF, RA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
NEMENOFF, RA
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
SCHERAGA, HA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1978,
82
(23)
: 2497
-
2503
[10]
THEORETICAL-STUDY OF THE O-METHYL SUBSTITUENT EFFECT IN OH...O HYDROGEN-BONDS
TSE, YC
论文数:
0
引用数:
0
h-index:
0
机构:
BROOKHAVEN NATL LAB,DEPT CHEM,UPTON,NY 11973
TSE, YC
NEWTON, MD
论文数:
0
引用数:
0
h-index:
0
机构:
BROOKHAVEN NATL LAB,DEPT CHEM,UPTON,NY 11973
NEWTON, MD
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
机构:
BROOKHAVEN NATL LAB,DEPT CHEM,UPTON,NY 11973
ALLEN, LC
[J].
CHEMICAL PHYSICS LETTERS,
1980,
75
(02)
: 350
-
356
←
1
→
共 10 条
[1]
CLEMENTI E, 1980, LECTURE NOTES CHEM, V19
[2]
BONDING ABILITY OF SURFACE SITES ON SILICA AND THEIR EFFECT ON HYDROGEN-BONDS - A QUANTUM-CHEMICAL AND STATISTICAL THERMODYNAMIC TREATMENT
HOBZA, P
论文数:
0
引用数:
0
h-index:
0
机构:
CZECH ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
HOBZA, P
SAUER, J
论文数:
0
引用数:
0
h-index:
0
机构:
CZECH ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
SAUER, J
MORGENEYER, C
论文数:
0
引用数:
0
h-index:
0
机构:
CZECH ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
MORGENEYER, C
HURYCH, J
论文数:
0
引用数:
0
h-index:
0
机构:
CZECH ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
HURYCH, J
ZAHRADNIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
CZECH ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
ZAHRADNIK, R
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1981,
85
(26)
: 4061
-
4067
[3]
REVISED EMPIRICAL POTENTIAL FOR CONFORMATIONAL, INTERMOLECULAR, AND SOLVATION STUDIES .6. TESTING OF PARAMETERS BY APPLICATION TO LIQUID-AMMONIA
KINCAID, RH
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,BAKER LAB CHEM,ITHACA,NY 14853
CORNELL UNIV,BAKER LAB CHEM,ITHACA,NY 14853
KINCAID, RH
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,BAKER LAB CHEM,ITHACA,NY 14853
CORNELL UNIV,BAKER LAB CHEM,ITHACA,NY 14853
SCHERAGA, HA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(05)
: 833
-
838
[4]
A REVISED POTENTIAL FUNCTION FOR THE WATER DIMER IN THE EPEN-2 FORM
MARCHESE, FT
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
MARCHESE, FT
MEHROTRA, PK
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
MEHROTRA, PK
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
CUNY HUNTER COLL,DEPT CHEM,NEW YORK,NY 10021
BEVERIDGE, DL
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1981,
85
(01)
: 1
-
3
[5]
TRANSFERABLE POTENTIAL FUNCTIONS FROM QUANTUM-MECHANICAL CALCULATIONS OF INTERMOLECULAR INTERACTION ENERGIES
MARCHESE, FT
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,NEW YORK,NY 10021
CUNY HUNTER COLL,NEW YORK,NY 10021
MARCHESE, FT
MEHROTRA, PK
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,NEW YORK,NY 10021
CUNY HUNTER COLL,NEW YORK,NY 10021
MEHROTRA, PK
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY HUNTER COLL,NEW YORK,NY 10021
CUNY HUNTER COLL,NEW YORK,NY 10021
BEVERIDGE, DL
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(14)
: 2592
-
2601
[6]
REVISED EMPIRICAL POTENTIAL FOR CONFORMATIONAL, INTER-MOLECULAR, AND SOLVATION STUDIES .2. PARAMETERIZATION AND TESTING FOR WATER AND SATURATED ORGANIC-MOLECULES
NEMENOFF, RA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
NEMENOFF, RA
SNIR, J
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
SNIR, J
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
SCHERAGA, HA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1978,
82
(23)
: 2504
-
2513
[7]
SAUER J, UNPUB J PHYS CHEM
[8]
SCHRODER KP, 1983, FORTRAN PROGRAM PENO
[9]
REVISED EMPIRICAL POTENTIAL FOR CONFORMATIONAL, INTER-MOLECULAR, AND SOLVATION STUDIES .1. EVALUATION OF PROBLEM AND DESCRIPTION OF MODEL
SNIR, J
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
SNIR, J
NEMENOFF, RA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
NEMENOFF, RA
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
SCHERAGA, HA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1978,
82
(23)
: 2497
-
2503
[10]
THEORETICAL-STUDY OF THE O-METHYL SUBSTITUENT EFFECT IN OH...O HYDROGEN-BONDS
TSE, YC
论文数:
0
引用数:
0
h-index:
0
机构:
BROOKHAVEN NATL LAB,DEPT CHEM,UPTON,NY 11973
TSE, YC
NEWTON, MD
论文数:
0
引用数:
0
h-index:
0
机构:
BROOKHAVEN NATL LAB,DEPT CHEM,UPTON,NY 11973
NEWTON, MD
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
机构:
BROOKHAVEN NATL LAB,DEPT CHEM,UPTON,NY 11973
ALLEN, LC
[J].
CHEMICAL PHYSICS LETTERS,
1980,
75
(02)
: 350
-
356
←
1
→