CALCULATION OF ISOTROPIC NUCLEAR SPIN SPIN COUPLING-CONSTANTS FOR H2O, NH3 AND CH4

被引：10

作者：

MAESTRO, M ^{[1
]}

MOCCIA, R ^{[1
]}

ZANDOMENEGHI, M ^{[1
]}

机构：

[1] UNIV PISA, IST CHIM FIS, 56100 PISA, ITALY

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 28卷 / 03期

关键词：

D O I：

10.1016/0009-2614(74)80368-4

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：373 / 376

页数：4

相关论文

共 16 条

[1] ARMOUR FAG, 1967, P ROY SOC A, V302, P25
[2] NUMERICAL CALCULATIONS OF SPIN-SPIN COUPLING CONSTANTS WITH EXACT LCAO SCF MO FUNCTIONS
BARBIER, C
BERTHIER, G
[J]. THEORETICA CHIMICA ACTA, 1969, 14 (01): : 71 - &
[3] DOUBLE PERTURBATION CALCULATION OF JGEM NUCLEAR SPIN-SPIN COUPLING CONSTANT OF METHANE
BARBIER, C
GAGNAIRE, D
BERTHIER, G
LEVY, B
[J]. JOURNAL OF MAGNETIC RESONANCE, 1971, 5 (01) : 11 - &
[4] COUPLING OF GEMINAL PROTONS IN NUCLEAR MAGNETIC-RESONANCE
BARBIER, C
LEVY, B
MILLIE, P
[J]. CHEMICAL PHYSICS LETTERS, 1972, 17 (01) : 122 - 126
[5] DOUBLE PERTURBATION CALCULATIONS OF SPIN-SPIN COUPLING-CONSTANTS USING LOCALIZED ORBITALS .1. THEORETICAL DEVELOPMENT
DENIS, A
MALRIEU, JP
[J]. MOLECULAR PHYSICS, 1972, 23 (03) : 581 - &
[6] A CNDO CALCULATION OF NUCLEAR SPIN-SPIN COUPLING CONSTANTS IN HYDROCARBONS
DITCHFIELD, R
MURRELL, JN
[J]. MOLECULAR PHYSICS, 1968, 14 (05) : 481 - +
[7] CALCULATION OF INDIRECT NUCLEAR SPIN-SPIN COUPLING CONSTANT OF HYDROGEN MOLECULE BY TRUNCATED MATRIX SUM METHOD
EMANUEL, RV
[J]. MOLECULAR PHYSICS, 1970, 19 (03) : 399 - &
[8] Emsley J., 1966, HIGH RESOLUTION NMR
[9] Franchini P. F., 1970, International Journal of Quantum Chemistry, V4, P487, DOI 10.1002/qua.560040504
[10] NMR COUPLING CONSTANTS .1. MOLECULAR ORBITAL APPROACH
HINCHLIF.A
COOK, DB
[J]. THEORETICA CHIMICA ACTA, 1970, 17 (02): : 91 - &