ABINITIO SOS-CI CALCULATIONS OF MAGNETIC-PROPERTIES OF THE 1ST-ROW AND 2ND-ROW HYDRIDES

被引：25

作者：

GALASSO, V

机构：

来源：

THEORETICA CHIMICA ACTA | 1983年 / 63卷 / 01期

关键词：

D O I：

10.1007/BF00549153

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：35 / 41

页数：7

相关论文

共 46 条

[1] ACHIREL P, 1978, J CHIM PHYS PCB, V75, P1003
[2] DOUBLE PERTURBATION THEORETICAL CALCULATION OF NUCLEAR COUPLING-CONSTANT J-2 IN SATURATED COMPOUNDS
BARBIER, C
BERTHIER, G
LEVY, B
MILLIE, P
NOEL, P
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1975, 72 (7-8) : 859 - 862
[3] COUPLING OF GEMINAL PROTONS IN NUCLEAR MAGNETIC-RESONANCE
BARBIER, C
LEVY, B
MILLIE, P
[J]. CHEMICAL PHYSICS LETTERS, 1972, 17 (01) : 122 - 126
[4] ISOTOPE SHIFT IN PROTON MAGNETIC RESONANCE OF CH4,CH3D,CH2D2, AND CHD3
BERNHEIM, RA
LAVERY, BJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1464 - &
[5] INDIRECT NUCLEAR SPIN-SPIN COUPLING + ISOTOPE SHIFTS IN NUCLEAR MAGNETIC RESONANCE OF 15NH3 15NH2D + 15NHD2
BERNHEIM, RA
BATIZHER.H
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (11) : 3446 - &
[6] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .19. SPLIT-VALENCE GAUSSIAN-TYPE BASIS SETS FOR BERYLLIUM
BINKLEY, JS
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (02) : 879 - 880
[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS
COLLINS, JB
SCHLEYER, PV
BINKLEY, JS
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) : 5142 - 5151
[8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .15. EXTENDED GAUSSIAN-TYPE BASIS SETS FOR LITHIUM, BERYLLIUM, AND BORON
DILL, JD
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (07) : 2921 - 2923
[9] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .11. MOLECULAR ORBITAL THEORY OF NMR CHEMICAL SHIFTS
DITCHFIELD, R
MILLER, DP
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (10) : 4186 - +
[10] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .7. CONVERGENCE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS IN CALCULATIONS OF FIRST-ORDER AND SECOND-ORDER PROPERTIES
DITCHFIELD, R
MILLER, DP
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (02) : 613 - +

← 1 2 3 4 5 →