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A SPIN-UNRESTRICTED MC SCF CALCULATION OF NUCLEAR-SPIN SPIN COUPLING-CONSTANTS IN THE HCN MOLECULE
被引:14
作者
:
LAAKSONEN, AI
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,SERC,WARRINGTON WA4 4AD,LANCS,ENGLAND
SRC,DARESBURY LAB,SERC,WARRINGTON WA4 4AD,LANCS,ENGLAND
LAAKSONEN, AI
[
1
]
SAUNDERS, VR
论文数:
0
引用数:
0
h-index:
0
机构:
SRC,DARESBURY LAB,SERC,WARRINGTON WA4 4AD,LANCS,ENGLAND
SRC,DARESBURY LAB,SERC,WARRINGTON WA4 4AD,LANCS,ENGLAND
SAUNDERS, VR
[
1
]
机构
:
[1]
SRC,DARESBURY LAB,SERC,WARRINGTON WA4 4AD,LANCS,ENGLAND
来源
:
CHEMICAL PHYSICS LETTERS
|
1983年
/ 95卷
/ 4-5期
关键词
:
D O I
:
10.1016/0009-2614(83)80577-6
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:375 / 378
页数:4
相关论文
共 17 条
[1]
ALMLOF J, 1974, USIP7429 REP
[2]
NITROGEN-15 MAGNETIC RESONANCE SPECTROSCOPY . COUPLING CONSTANTS IN HYDROGEN CYANIDE
BINSCH, G
论文数:
0
引用数:
0
h-index:
0
BINSCH, G
ROBERTS, JD
论文数:
0
引用数:
0
h-index:
0
ROBERTS, JD
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1968,
72
(12)
: 4310
-
&
[3]
CIZEK J, 1967, J CHEM PHYS, V47, P3976
[4]
DOUBLY-OCCUPIED ORBITAL MCSCF METHODS .1. PEMCSCF METHOD - FORMULATION AND APPLICATION TO SMALL MOLECULES
COOK, DB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S3 7HF,ENGLAND
UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S3 7HF,ENGLAND
COOK, DB
[J].
MOLECULAR PHYSICS,
1975,
30
(03)
: 733
-
743
[5]
INVESTIGATION OF SELF-CONSISTENT FIELD PERTURBATION-THEORY APPLIED TO CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD HIGH ENERGY LAB,DIV ATLAS COMP,DIDCOT OX11 0QX,OXFORDSHIRE,ENGLAND
GUEST, MF
SAUNDERS, VR
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD HIGH ENERGY LAB,DIV ATLAS COMP,DIDCOT OX11 0QX,OXFORDSHIRE,ENGLAND
SAUNDERS, VR
OVERILL, RE
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD HIGH ENERGY LAB,DIV ATLAS COMP,DIDCOT OX11 0QX,OXFORDSHIRE,ENGLAND
OVERILL, RE
[J].
MOLECULAR PHYSICS,
1978,
35
(02)
: 427
-
443
[6]
KOWALESKI J, 1982, NMR SPECTRY, V11, P81
[7]
FINITE PERTURBATION-CONFIGURATION INTERACTION CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .1. 1ST ROW HYDRIDES AND THE HYDROGEN MOLECULE
KOWALEWSKI, J
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,INST PHYS CHEM 2,S-22007 LUND,SWEDEN
KOWALEWSKI, J
LAAKSONEN, A
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,INST PHYS CHEM 2,S-22007 LUND,SWEDEN
LAAKSONEN, A
ROOS, B
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,INST PHYS CHEM 2,S-22007 LUND,SWEDEN
ROOS, B
SIEGBAHN, P
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,INST PHYS CHEM 2,S-22007 LUND,SWEDEN
SIEGBAHN, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(07)
: 2896
-
2902
[8]
SPIN-DIPOLAR CONTRIBUTIONS TO THE NUCLEAR SPIN-SPIN COUPLING-CONSTANTS OF MOLECULES
LEE, WS
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY QUEENS COLL,DEPT CHEM,FLUSHING,NY 11367
CUNY QUEENS COLL,DEPT CHEM,FLUSHING,NY 11367
LEE, WS
SCHULMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY QUEENS COLL,DEPT CHEM,FLUSHING,NY 11367
CUNY QUEENS COLL,DEPT CHEM,FLUSHING,NY 11367
SCHULMAN, JM
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(16)
: 5184
-
5187
[9]
GENERAL 2ND ORDER MCSCF THEORY - A DENSITY-MATRIX DIRECTED ALGORITHM
LENGSFIELD, BH
论文数:
0
引用数:
0
h-index:
0
LENGSFIELD, BH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(01)
: 382
-
390
[10]
ELECTRON COUPLED INTERACTIONS BETWEEN NUCLEAR SPINS IN MOLECULES
RAMSEY, NF
论文数:
0
引用数:
0
h-index:
0
RAMSEY, NF
[J].
PHYSICAL REVIEW,
1953,
91
(02):
: 303
-
307
←
1
2
→
共 17 条
[1]
ALMLOF J, 1974, USIP7429 REP
[2]
NITROGEN-15 MAGNETIC RESONANCE SPECTROSCOPY . COUPLING CONSTANTS IN HYDROGEN CYANIDE
BINSCH, G
论文数:
0
引用数:
0
h-index:
0
BINSCH, G
ROBERTS, JD
论文数:
0
引用数:
0
h-index:
0
ROBERTS, JD
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1968,
72
(12)
: 4310
-
&
[3]
CIZEK J, 1967, J CHEM PHYS, V47, P3976
[4]
DOUBLY-OCCUPIED ORBITAL MCSCF METHODS .1. PEMCSCF METHOD - FORMULATION AND APPLICATION TO SMALL MOLECULES
COOK, DB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S3 7HF,ENGLAND
UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S3 7HF,ENGLAND
COOK, DB
[J].
MOLECULAR PHYSICS,
1975,
30
(03)
: 733
-
743
[5]
INVESTIGATION OF SELF-CONSISTENT FIELD PERTURBATION-THEORY APPLIED TO CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD HIGH ENERGY LAB,DIV ATLAS COMP,DIDCOT OX11 0QX,OXFORDSHIRE,ENGLAND
GUEST, MF
SAUNDERS, VR
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD HIGH ENERGY LAB,DIV ATLAS COMP,DIDCOT OX11 0QX,OXFORDSHIRE,ENGLAND
SAUNDERS, VR
OVERILL, RE
论文数:
0
引用数:
0
h-index:
0
机构:
RUTHERFORD HIGH ENERGY LAB,DIV ATLAS COMP,DIDCOT OX11 0QX,OXFORDSHIRE,ENGLAND
OVERILL, RE
[J].
MOLECULAR PHYSICS,
1978,
35
(02)
: 427
-
443
[6]
KOWALESKI J, 1982, NMR SPECTRY, V11, P81
[7]
FINITE PERTURBATION-CONFIGURATION INTERACTION CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .1. 1ST ROW HYDRIDES AND THE HYDROGEN MOLECULE
KOWALEWSKI, J
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,INST PHYS CHEM 2,S-22007 LUND,SWEDEN
KOWALEWSKI, J
LAAKSONEN, A
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,INST PHYS CHEM 2,S-22007 LUND,SWEDEN
LAAKSONEN, A
ROOS, B
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,INST PHYS CHEM 2,S-22007 LUND,SWEDEN
ROOS, B
SIEGBAHN, P
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,INST PHYS CHEM 2,S-22007 LUND,SWEDEN
SIEGBAHN, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(07)
: 2896
-
2902
[8]
SPIN-DIPOLAR CONTRIBUTIONS TO THE NUCLEAR SPIN-SPIN COUPLING-CONSTANTS OF MOLECULES
LEE, WS
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY QUEENS COLL,DEPT CHEM,FLUSHING,NY 11367
CUNY QUEENS COLL,DEPT CHEM,FLUSHING,NY 11367
LEE, WS
SCHULMAN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY QUEENS COLL,DEPT CHEM,FLUSHING,NY 11367
CUNY QUEENS COLL,DEPT CHEM,FLUSHING,NY 11367
SCHULMAN, JM
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(16)
: 5184
-
5187
[9]
GENERAL 2ND ORDER MCSCF THEORY - A DENSITY-MATRIX DIRECTED ALGORITHM
LENGSFIELD, BH
论文数:
0
引用数:
0
h-index:
0
LENGSFIELD, BH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(01)
: 382
-
390
[10]
ELECTRON COUPLED INTERACTIONS BETWEEN NUCLEAR SPINS IN MOLECULES
RAMSEY, NF
论文数:
0
引用数:
0
h-index:
0
RAMSEY, NF
[J].
PHYSICAL REVIEW,
1953,
91
(02):
: 303
-
307
←
1
2
→