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NONEMPIRICAL ATOM-ATOM POTENTIALS FOR MAIN COMPONENTS OF INTERMOLECULAR INTERACTION ENERGY
被引:29
作者
:
SOKALSKI, WA
论文数:
0
引用数:
0
h-index:
0
SOKALSKI, WA
LOWREY, AH
论文数:
0
引用数:
0
h-index:
0
LOWREY, AH
ROSZAK, S
论文数:
0
引用数:
0
h-index:
0
ROSZAK, S
LEWCHENKO, V
论文数:
0
引用数:
0
h-index:
0
LEWCHENKO, V
BLAISDELL, J
论文数:
0
引用数:
0
h-index:
0
BLAISDELL, J
HARIHARAN, PC
论文数:
0
引用数:
0
h-index:
0
HARIHARAN, PC
KAUFMAN, JJ
论文数:
0
引用数:
0
h-index:
0
KAUFMAN, JJ
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1986年
/ 7卷
/ 05期
关键词
:
D O I
:
10.1002/jcc.540070511
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:693 / 700
页数:8
相关论文
共 59 条
[1]
DO ELECTROSTATIC INTERACTIONS PREDICT STRUCTURES OF VAN DER WAALS MOLECULES - COMMENTS
[J].
BAIOCCHI, FA
论文数:
0
引用数:
0
h-index:
0
BAIOCCHI, FA
;
REIHER, W
论文数:
0
引用数:
0
h-index:
0
REIHER, W
;
KLEMPERER, W
论文数:
0
引用数:
0
h-index:
0
KLEMPERER, W
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(12)
:6428
-6429
[2]
PARAMETERIZATION OF SITE SITE POTENTIALS IN THE SPHERICAL EXPANSION FORMALISM - A POINT-CHARGE MODEL FOR THE ELECTROSTATIC INTERACTION OF THE AZA-BENZENE MOLECULES
[J].
BAUER, GEW
论文数:
0
引用数:
0
h-index:
0
机构:
TWENTE UNIV TECHNOL,CHEM PHYS LAB,7500 AE ENSCHEDE,NETHERLANDS
TWENTE UNIV TECHNOL,CHEM PHYS LAB,7500 AE ENSCHEDE,NETHERLANDS
BAUER, GEW
;
HUISZOON, C
论文数:
0
引用数:
0
h-index:
0
机构:
TWENTE UNIV TECHNOL,CHEM PHYS LAB,7500 AE ENSCHEDE,NETHERLANDS
TWENTE UNIV TECHNOL,CHEM PHYS LAB,7500 AE ENSCHEDE,NETHERLANDS
HUISZOON, C
.
MOLECULAR PHYSICS,
1982,
47
(03)
:565
-583
[3]
N-2-N-2 INTERACTION POTENTIAL FROM ABINITIO CALCULATIONS, WITH APPLICATION TO THE STRUCTURE OF (N-2)2
[J].
BERNS, RM
论文数:
0
引用数:
0
h-index:
0
机构:
Institute of Theoretical Chemistry, University of Nijmegen, Toernooiveld, Nijmegen
BERNS, RM
;
VANDERAVOIRD, A
论文数:
0
引用数:
0
h-index:
0
机构:
Institute of Theoretical Chemistry, University of Nijmegen, Toernooiveld, Nijmegen
VANDERAVOIRD, A
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(11)
:6107
-6116
[4]
AN EFFECTIVE PAIR POTENTIAL FOR LIQUID ACETONITRILE
[J].
BOHM, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE,CHEM LAB,DEPT THEORET CHEM,CAMBRIDGE CB2 1EW,ENGLAND
BOHM, HJ
;
MCDONALD, IR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE,CHEM LAB,DEPT THEORET CHEM,CAMBRIDGE CB2 1EW,ENGLAND
MCDONALD, IR
;
MADDEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE,CHEM LAB,DEPT THEORET CHEM,CAMBRIDGE CB2 1EW,ENGLAND
MADDEN, PA
.
MOLECULAR PHYSICS,
1983,
49
(02)
:347
-360
[5]
INTERMOLECULAR POTENTIALS FOR CH4, CH3F, CHF3, CH3CL, CH2CL2, CH3CN AND CO2
[J].
BOHM, HJ
论文数:
0
引用数:
0
h-index:
0
BOHM, HJ
;
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
;
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
;
SCHIFFER, H
论文数:
0
引用数:
0
h-index:
0
SCHIFFER, H
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(03)
:1389
-1395
[6]
ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .3. RELIABILITY AND TRANSFERABILITY OF PAIR POTENTIALS
[J].
BOLIS, G
论文数:
0
引用数:
0
h-index:
0
机构:
IST RIC G DONEGANI,SOC MONTEDISON,I-28100 NOVARA,ITALY
BOLIS, G
;
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
IST RIC G DONEGANI,SOC MONTEDISON,I-28100 NOVARA,ITALY
CLEMENTI, E
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(17)
:5550
-5557
[7]
INTERACTION OF METHANE AND METHANOL WITH WATER
[J].
BOLIS, G
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, POB 390, POUGHKEEPSIE, NY 12602 USA
BOLIS, G
;
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, POB 390, POUGHKEEPSIE, NY 12602 USA
CLEMENTI, E
;
WERTZ, DH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, POB 390, POUGHKEEPSIE, NY 12602 USA
WERTZ, DH
;
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, POB 390, POUGHKEEPSIE, NY 12602 USA
SCHERAGA, HA
;
TOSI, C
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, POB 390, POUGHKEEPSIE, NY 12602 USA
TOSI, C
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(03)
:355
-360
[8]
THE INTERMOLECULAR POTENTIAL OF HF
[J].
BROBJER, JT
论文数:
0
引用数:
0
h-index:
0
BROBJER, JT
;
MURRELL, JN
论文数:
0
引用数:
0
h-index:
0
MURRELL, JN
.
MOLECULAR PHYSICS,
1983,
50
(05)
:885
-899
[9]
BROMAGE GE, 1983, COMP PHYS COMMUN, V30, P223
[10]
DO ELECTROSTATIC INTERACTIONS PREDICT STRUCTURES OF VANDERWAALS MOLECULES
[J].
BUCKINGHAM, AD
论文数:
0
引用数:
0
h-index:
0
BUCKINGHAM, AD
;
FOWLER, PW
论文数:
0
引用数:
0
h-index:
0
FOWLER, PW
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(12)
:6426
-6428
←
1
2
3
4
5
6
→
共 59 条
[1]
DO ELECTROSTATIC INTERACTIONS PREDICT STRUCTURES OF VAN DER WAALS MOLECULES - COMMENTS
[J].
BAIOCCHI, FA
论文数:
0
引用数:
0
h-index:
0
BAIOCCHI, FA
;
REIHER, W
论文数:
0
引用数:
0
h-index:
0
REIHER, W
;
KLEMPERER, W
论文数:
0
引用数:
0
h-index:
0
KLEMPERER, W
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(12)
:6428
-6429
[2]
PARAMETERIZATION OF SITE SITE POTENTIALS IN THE SPHERICAL EXPANSION FORMALISM - A POINT-CHARGE MODEL FOR THE ELECTROSTATIC INTERACTION OF THE AZA-BENZENE MOLECULES
[J].
BAUER, GEW
论文数:
0
引用数:
0
h-index:
0
机构:
TWENTE UNIV TECHNOL,CHEM PHYS LAB,7500 AE ENSCHEDE,NETHERLANDS
TWENTE UNIV TECHNOL,CHEM PHYS LAB,7500 AE ENSCHEDE,NETHERLANDS
BAUER, GEW
;
HUISZOON, C
论文数:
0
引用数:
0
h-index:
0
机构:
TWENTE UNIV TECHNOL,CHEM PHYS LAB,7500 AE ENSCHEDE,NETHERLANDS
TWENTE UNIV TECHNOL,CHEM PHYS LAB,7500 AE ENSCHEDE,NETHERLANDS
HUISZOON, C
.
MOLECULAR PHYSICS,
1982,
47
(03)
:565
-583
[3]
N-2-N-2 INTERACTION POTENTIAL FROM ABINITIO CALCULATIONS, WITH APPLICATION TO THE STRUCTURE OF (N-2)2
[J].
BERNS, RM
论文数:
0
引用数:
0
h-index:
0
机构:
Institute of Theoretical Chemistry, University of Nijmegen, Toernooiveld, Nijmegen
BERNS, RM
;
VANDERAVOIRD, A
论文数:
0
引用数:
0
h-index:
0
机构:
Institute of Theoretical Chemistry, University of Nijmegen, Toernooiveld, Nijmegen
VANDERAVOIRD, A
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(11)
:6107
-6116
[4]
AN EFFECTIVE PAIR POTENTIAL FOR LIQUID ACETONITRILE
[J].
BOHM, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE,CHEM LAB,DEPT THEORET CHEM,CAMBRIDGE CB2 1EW,ENGLAND
BOHM, HJ
;
MCDONALD, IR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE,CHEM LAB,DEPT THEORET CHEM,CAMBRIDGE CB2 1EW,ENGLAND
MCDONALD, IR
;
MADDEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CAMBRIDGE,CHEM LAB,DEPT THEORET CHEM,CAMBRIDGE CB2 1EW,ENGLAND
MADDEN, PA
.
MOLECULAR PHYSICS,
1983,
49
(02)
:347
-360
[5]
INTERMOLECULAR POTENTIALS FOR CH4, CH3F, CHF3, CH3CL, CH2CL2, CH3CN AND CO2
[J].
BOHM, HJ
论文数:
0
引用数:
0
h-index:
0
BOHM, HJ
;
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
;
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
;
SCHIFFER, H
论文数:
0
引用数:
0
h-index:
0
SCHIFFER, H
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(03)
:1389
-1395
[6]
ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .3. RELIABILITY AND TRANSFERABILITY OF PAIR POTENTIALS
[J].
BOLIS, G
论文数:
0
引用数:
0
h-index:
0
机构:
IST RIC G DONEGANI,SOC MONTEDISON,I-28100 NOVARA,ITALY
BOLIS, G
;
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
IST RIC G DONEGANI,SOC MONTEDISON,I-28100 NOVARA,ITALY
CLEMENTI, E
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(17)
:5550
-5557
[7]
INTERACTION OF METHANE AND METHANOL WITH WATER
[J].
BOLIS, G
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, POB 390, POUGHKEEPSIE, NY 12602 USA
BOLIS, G
;
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, POB 390, POUGHKEEPSIE, NY 12602 USA
CLEMENTI, E
;
WERTZ, DH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, POB 390, POUGHKEEPSIE, NY 12602 USA
WERTZ, DH
;
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, POB 390, POUGHKEEPSIE, NY 12602 USA
SCHERAGA, HA
;
TOSI, C
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, POB 390, POUGHKEEPSIE, NY 12602 USA
TOSI, C
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(03)
:355
-360
[8]
THE INTERMOLECULAR POTENTIAL OF HF
[J].
BROBJER, JT
论文数:
0
引用数:
0
h-index:
0
BROBJER, JT
;
MURRELL, JN
论文数:
0
引用数:
0
h-index:
0
MURRELL, JN
.
MOLECULAR PHYSICS,
1983,
50
(05)
:885
-899
[9]
BROMAGE GE, 1983, COMP PHYS COMMUN, V30, P223
[10]
DO ELECTROSTATIC INTERACTIONS PREDICT STRUCTURES OF VANDERWAALS MOLECULES
[J].
BUCKINGHAM, AD
论文数:
0
引用数:
0
h-index:
0
BUCKINGHAM, AD
;
FOWLER, PW
论文数:
0
引用数:
0
h-index:
0
FOWLER, PW
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(12)
:6426
-6428
←
1
2
3
4
5
6
→