2ND-ORDER POLARIZATION PROPAGATOR CALCULATIONS OF INDIRECT NUCLEAR-SPIN SPIN COUPLING TENSORS IN THE WATER MOLECULE

被引：124

作者：

GEERTSEN, J

ODDERSHEDE, J

机构：

来源：

CHEMICAL PHYSICS | 1984年 / 90卷 / 03期

关键词：

D O I：

10.1016/0301-0104(84)85327-6

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：301 / 311

页数：11

相关论文

共 22 条

[1] COMPUTATIONAL IMPLEMENTATION OF THE POLARIZATION PROPAGATOR METHOD
DIERCKSEN, GHF
GRUNER, NE
ODDERSHEDE, J
[J]. COMPUTER PHYSICS COMMUNICATIONS, 1983, 30 (04) : 349 - 358
[2] DIERCKSEN GHF, MUNICH MOL PROGRAM S
[3] CALCULATION OF THE DIAMAGNETIC SPIN-ORBIT CONTRIBUTION TO THE NUCLEAR-SPIN SPIN COUPLING TENSORS IN THE WATER MOLECULE
GALASSO, V
LAZZERETTI, P
ROSSI, E
ZANASI, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) : 1554 - 1556
[4] INVESTIGATION OF SELF-CONSISTENT FIELD PERTURBATION-THEORY APPLIED TO CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS
GUEST, MF
SAUNDERS, VR
OVERILL, RE
[J]. MOLECULAR PHYSICS, 1978, 35 (02) : 427 - 443
[5] PROTON MAGNETIC RESONANCE SPECTRUM OF HDO
HOLMES, JR
DRINKARD, WC
KIVELSON, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (01) : 150 - &
[6] O-17 NUCLEAR MAGNETIC-RESONANCE SPECTROSCOPY - SIGN OF O-H NUCLEAR SPIN-SPIN COUPLING-CONSTANT
JENKINS, WB
MCFARLANE, W
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1977, (24) : 922 - 923
[7] JORGENSEN P, 1981, 2ND QUANTIZATION BAS
[8] NUCLEAR CORRECTIONS TO ELECTRONIC EXPECTATION VALUES - ZERO-POINT VIBRATIONAL EFFECTS IN WATER MOLECULE
KERN, CW
MATCHA, RL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2081 - &
[9] FINITE PERTURBATION-CONFIGURATION INTERACTION CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .1. 1ST ROW HYDRIDES AND THE HYDROGEN MOLECULE
KOWALEWSKI, J
LAAKSONEN, A
ROOS, B
SIEGBAHN, P
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (07) : 2896 - 2902
[10] CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS
KOWALEWSKI, J
[J]. PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 1977, 11 : 1 - 78