CARBON PROTON AND PROTON PROTON SPIN SPIN COUPLING SURFACES FOR THE METHANE MOLECULE

被引：10

作者：

LAZZERETTI, P ^{[1
]}

ZANASI, R ^{[1
]}

RAYNES, WT ^{[1
]}

机构：

[1] UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S3 7HF,S YORKSHIRE,ENGLAND

来源：

MOLECULAR PHYSICS | 1989年 / 66卷 / 04期

关键词：

D O I：

10.1080/00268978900100561

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

页码：831 / 846

页数：16

共 54 条

[1] NUMERICAL CALCULATIONS OF SPIN-SPIN COUPLING CONSTANTS WITH EXACT LCAO SCF MO FUNCTIONS [J].

BARBIER, C ;

BERTHIER, G .

THEORETICA CHIMICA ACTA, 1969, 14 (01) :71-&

[2] DOUBLE PERTURBATION CALCULATION OF JGEM NUCLEAR SPIN-SPIN COUPLING CONSTANT OF METHANE [J].

BARBIER, C ;

GAGNAIRE, D ;

BERTHIER, G ;

LEVY, B .

JOURNAL OF MAGNETIC RESONANCE, 1971, 5 (01) :11-&

[3] COUPLING OF GEMINAL PROTONS IN NUCLEAR MAGNETIC-RESONANCE [J].

BARBIER, C ;

LEVY, B ;

MILLIE, P .

CHEMICAL PHYSICS LETTERS, 1972, 17 (01) :122-126

[4] TEMPERATURE-DEPENDENCE OF THE C-13 PROTON SPIN SPIN COUPLING-CONSTANT IN GASEOUS METHANE - THEORY AND EXPERIMENT [J].

BENNETT, B ;

RAYNES, WT .

MOLECULAR PHYSICS, 1987, 61 (06) :1423-1430

[5]

BENNETT B, IN PRESS

[6] CALCULATION OF SECOND-ORDER PROPERTIES WITH IMPROVED VIRTUAL ORBITALS [J].

BIRNSTOCK, F ;

KLOPPER, D .

CHEMICAL PHYSICS LETTERS, 1973, 20 (06) :542-543

[7] MOLECULAR ORBITAL CALCULATIONS OF SPIN-SPIN COUPLING CONSTANTS FOR HYDROCARBONS [J].

FAHEY, RC ;

GRAHAM, GC ;

PICCIONI, RL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (02) :193-&

[8] PROPERTY SURFACES AND MOLECULAR SYMMETRY [J].

FOWLER, PW .

CHEMICAL PHYSICS LETTERS, 1982, 85 (03) :313-316

[9] CALCULATION OF NUCLEAR SPIN COUPLING CONSTANTS FROM NEMO WAVE FUNCTIONS OF SIMPLE HYDROCARBONS [J].

FRISCHLEDER, H ;

KLOPPER, D .

MOLECULAR PHYSICS, 1970, 18 (01) :113-+

[10] ABINITIO SOS CI CALCULATIONS OF THE EFFECT OF INTERNAL-ROTATION ON THE NMR PARAMETERS OF H2O2 [J].

GALASSO, V .

CHEMICAL PHYSICS LETTERS, 1984, 108 (05) :435-438

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