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HIGHER RPA AND 2ND-ORDER POLARIZATION PROPAGATOR CALCULATIONS OF COUPLING-CONSTANTS IN ACETYLENE
被引:26
作者
:
GEERTSEN, J
论文数:
0
引用数:
0
h-index:
0
GEERTSEN, J
ODDERSHEDE, J
论文数:
0
引用数:
0
h-index:
0
ODDERSHEDE, J
机构
:
来源
:
CHEMICAL PHYSICS
|
1986年
/ 104卷
/ 01期
关键词
:
D O I
:
10.1016/0301-0104(86)80154-9
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:67 / 72
页数:6
相关论文
共 24 条
[1]
ACCURATE ABINITIO STUDY OF THE MULTIPOLE MOMENTS AND POLARIZABILITIES OF METHANE
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
机构:
University Chemical Laboratories, Cambridge, CB2 1EW, Lensfield Road
AMOS, RD
[J].
MOLECULAR PHYSICS,
1979,
38
(01)
: 33
-
45
[2]
DIERCKSEN GHF, MUNICH MOL PROGRAM S
[3]
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
-
+
[4]
APPLICATION OF THE EQUATIONS-OF-MOTION METHOD TO THE CALCULATION OF THE INDIRECT NUCLEAR-SPIN SPIN COUPLING TENSORS
GALASSO, V
论文数:
0
引用数:
0
h-index:
0
GALASSO, V
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
: 899
-
904
[5]
CALCULATION OF THE DIAMAGNETIC SPIN-ORBIT CONTRIBUTION TO THE NUCLEAR-SPIN SPIN COUPLING TENSORS IN THE WATER MOLECULE
GALASSO, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,IST CHIM ORGAN,I-41100 MODENA,ITALY
GALASSO, V
LAZZERETTI, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,IST CHIM ORGAN,I-41100 MODENA,ITALY
LAZZERETTI, P
ROSSI, E
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,IST CHIM ORGAN,I-41100 MODENA,ITALY
ROSSI, E
ZANASI, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,IST CHIM ORGAN,I-41100 MODENA,ITALY
ZANASI, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(03)
: 1554
-
1556
[6]
2ND-ORDER POLARIZATION PROPAGATOR CALCULATIONS OF INDIRECT NUCLEAR-SPIN SPIN COUPLING TENSORS IN THE WATER MOLECULE
GEERTSEN, J
论文数:
0
引用数:
0
h-index:
0
GEERTSEN, J
ODDERSHEDE, J
论文数:
0
引用数:
0
h-index:
0
ODDERSHEDE, J
[J].
CHEMICAL PHYSICS,
1984,
90
(03)
: 301
-
311
[7]
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
[8]
JORGENSEN P, 1981, 2ND QUANTIZATION BAS
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
BINKLEY, JS
SEEGER, R
论文数:
0
引用数:
0
h-index:
0
SEEGER, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(01)
: 650
-
654
[10]
FINITE PERTURBATION MCSCF AND CI CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS FOR SOME MOLECULES WITH MULTIPLE BONDS
LAAKSONEN, A
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
LAAKSONEN, A
KOWALEWSKI, J
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
KOWALEWSKI, J
SAUNDERS, VR
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
SAUNDERS, VR
[J].
CHEMICAL PHYSICS,
1983,
80
(03)
: 221
-
227
←
1
2
3
→
共 24 条
[1]
ACCURATE ABINITIO STUDY OF THE MULTIPOLE MOMENTS AND POLARIZABILITIES OF METHANE
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
机构:
University Chemical Laboratories, Cambridge, CB2 1EW, Lensfield Road
AMOS, RD
[J].
MOLECULAR PHYSICS,
1979,
38
(01)
: 33
-
45
[2]
DIERCKSEN GHF, MUNICH MOL PROGRAM S
[3]
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
-
+
[4]
APPLICATION OF THE EQUATIONS-OF-MOTION METHOD TO THE CALCULATION OF THE INDIRECT NUCLEAR-SPIN SPIN COUPLING TENSORS
GALASSO, V
论文数:
0
引用数:
0
h-index:
0
GALASSO, V
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
: 899
-
904
[5]
CALCULATION OF THE DIAMAGNETIC SPIN-ORBIT CONTRIBUTION TO THE NUCLEAR-SPIN SPIN COUPLING TENSORS IN THE WATER MOLECULE
GALASSO, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,IST CHIM ORGAN,I-41100 MODENA,ITALY
GALASSO, V
LAZZERETTI, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,IST CHIM ORGAN,I-41100 MODENA,ITALY
LAZZERETTI, P
ROSSI, E
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,IST CHIM ORGAN,I-41100 MODENA,ITALY
ROSSI, E
ZANASI, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,IST CHIM ORGAN,I-41100 MODENA,ITALY
ZANASI, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(03)
: 1554
-
1556
[6]
2ND-ORDER POLARIZATION PROPAGATOR CALCULATIONS OF INDIRECT NUCLEAR-SPIN SPIN COUPLING TENSORS IN THE WATER MOLECULE
GEERTSEN, J
论文数:
0
引用数:
0
h-index:
0
GEERTSEN, J
ODDERSHEDE, J
论文数:
0
引用数:
0
h-index:
0
ODDERSHEDE, J
[J].
CHEMICAL PHYSICS,
1984,
90
(03)
: 301
-
311
[7]
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
[8]
JORGENSEN P, 1981, 2ND QUANTIZATION BAS
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
BINKLEY, JS
SEEGER, R
论文数:
0
引用数:
0
h-index:
0
SEEGER, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(01)
: 650
-
654
[10]
FINITE PERTURBATION MCSCF AND CI CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS FOR SOME MOLECULES WITH MULTIPLE BONDS
LAAKSONEN, A
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
LAAKSONEN, A
KOWALEWSKI, J
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
KOWALEWSKI, J
SAUNDERS, VR
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
SCI & EDUC RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
SAUNDERS, VR
[J].
CHEMICAL PHYSICS,
1983,
80
(03)
: 221
-
227
←
1
2
3
→