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ACCURATE CALCULATIONS OF D-NUCLEAR QUADRUPOLE COUPLING-CONSTANTS INCLUDING ELECTRON CORRELATION ON THE MP4 LEVEL
被引:28
作者
:
GERBER, S
论文数:
0
引用数:
0
h-index:
0
GERBER, S
HUBER, H
论文数:
0
引用数:
0
h-index:
0
HUBER, H
机构
:
来源
:
JOURNAL OF MOLECULAR SPECTROSCOPY
|
1989年
/ 134卷
/ 01期
关键词
:
D O I
:
10.1016/0022-2852(89)90139-2
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
O56 [分子物理学、原子物理学];
学科分类号
:
070203 ;
070304 ;
081704 ;
1406 ;
摘要
:
引用
收藏
页码:168 / 175
页数:8
相关论文
共 14 条
[1]
BINKLEY JS, 1982, GAUSSIAN82
[2]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 716
-
+
[3]
THE SULFUR DIOXIDE-HYDROGEN FLUORIDE COMPLEX - ADDITIONAL INFORMATION TO THE EXPERIMENT FROM ABINITIO CALCULATIONS
GERBER, S
论文数:
0
引用数:
0
h-index:
0
GERBER, S
HUBER, H
论文数:
0
引用数:
0
h-index:
0
HUBER, H
[J].
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS,
1988,
53
(09)
: 1989
-
1994
[4]
GERBER S, 1987, Z NATURFORSCH A, V42, P753
[5]
GERBER S, IN PRESS
[6]
GERBER S, IN PRESS J PHYS CHEM
[7]
HUBER H, 1985, J MOL SPECTROSC, V112, P498
[8]
REFINED QUANTUM CHEMICAL CALCULATIONS OF DEUTERIUM QUADRUPOLE COUPLING-CONSTANTS AND THEIR CONTRIBUTION TO THE RESOLUTION OF EXPERIMENTAL AMBIGUITIES
HUBER, H
论文数:
0
引用数:
0
h-index:
0
HUBER, H
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1985,
111
(01)
: 26
-
28
[9]
NEAR-HARTREE-FOCK CALCULATION OF THE ELECTRIC-FIELD GRADIENTS AND THEIR 1ST AND 2ND DERIVATIVES WITH RESPECT TO THE BOND-LENGTH AT THE LOCATION OF THE DEUTERIUM NUCLEUS
论文数:
引用数:
h-index:
机构:
HUBER, H
DIEHL, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BASEL,INST PHYS,CH-4056 BASEL,SWITZERLAND
UNIV BASEL,INST PHYS,CH-4056 BASEL,SWITZERLAND
DIEHL, P
[J].
MOLECULAR PHYSICS,
1985,
54
(03)
: 725
-
732
[10]
NEAR-HARTREE FOCK CALCULATION OF THE ELECTRIC-FIELD GRADIENT TENSOR AT THE HYDROGEN NUCLEUS IN WATER
HUBER, H
论文数:
0
引用数:
0
h-index:
0
HUBER, H
[J].
CHEMICAL PHYSICS LETTERS,
1984,
112
(02)
: 133
-
135
←
1
2
→
共 14 条
[1]
BINKLEY JS, 1982, GAUSSIAN82
[2]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 716
-
+
[3]
THE SULFUR DIOXIDE-HYDROGEN FLUORIDE COMPLEX - ADDITIONAL INFORMATION TO THE EXPERIMENT FROM ABINITIO CALCULATIONS
GERBER, S
论文数:
0
引用数:
0
h-index:
0
GERBER, S
HUBER, H
论文数:
0
引用数:
0
h-index:
0
HUBER, H
[J].
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS,
1988,
53
(09)
: 1989
-
1994
[4]
GERBER S, 1987, Z NATURFORSCH A, V42, P753
[5]
GERBER S, IN PRESS
[6]
GERBER S, IN PRESS J PHYS CHEM
[7]
HUBER H, 1985, J MOL SPECTROSC, V112, P498
[8]
REFINED QUANTUM CHEMICAL CALCULATIONS OF DEUTERIUM QUADRUPOLE COUPLING-CONSTANTS AND THEIR CONTRIBUTION TO THE RESOLUTION OF EXPERIMENTAL AMBIGUITIES
HUBER, H
论文数:
0
引用数:
0
h-index:
0
HUBER, H
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1985,
111
(01)
: 26
-
28
[9]
NEAR-HARTREE-FOCK CALCULATION OF THE ELECTRIC-FIELD GRADIENTS AND THEIR 1ST AND 2ND DERIVATIVES WITH RESPECT TO THE BOND-LENGTH AT THE LOCATION OF THE DEUTERIUM NUCLEUS
论文数:
引用数:
h-index:
机构:
HUBER, H
DIEHL, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BASEL,INST PHYS,CH-4056 BASEL,SWITZERLAND
UNIV BASEL,INST PHYS,CH-4056 BASEL,SWITZERLAND
DIEHL, P
[J].
MOLECULAR PHYSICS,
1985,
54
(03)
: 725
-
732
[10]
NEAR-HARTREE FOCK CALCULATION OF THE ELECTRIC-FIELD GRADIENT TENSOR AT THE HYDROGEN NUCLEUS IN WATER
HUBER, H
论文数:
0
引用数:
0
h-index:
0
HUBER, H
[J].
CHEMICAL PHYSICS LETTERS,
1984,
112
(02)
: 133
-
135
←
1
2
→