NEAR-HARTREE-FOCK CALCULATION OF THE ELECTRIC-FIELD GRADIENTS AND THEIR 1ST AND 2ND DERIVATIVES WITH RESPECT TO THE BOND-LENGTH AT THE LOCATION OF THE DEUTERIUM NUCLEUS

被引：36

作者：

HUBER, H ^{[1
]}

DIEHL, P ^{[1
]}

机构：

[1] UNIV BASEL,INST PHYS,CH-4056 BASEL,SWITZERLAND

来源：

MOLECULAR PHYSICS | 1985年 / 54卷 / 03期

关键词：

D O I：

10.1080/00268978500100571

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：725 / 732

页数：8

共 35 条

[1] MCSCF CALCULATIONS OF PROPERTIES OF HYDROGEN-FLUORIDE
AMOS, RD
[J]. MOLECULAR PHYSICS, 1978, 35 (06) : 1765 - 1775
[2] SCF AND CI CALCULATIONS OF THE ONE-ELECTRON PROPERTIES OF CARBON-MONOXIDE AS A FUNCTION OF INTER-NUCLEAR DISTANCE
AMOS, RD
[J]. CHEMICAL PHYSICS LETTERS, 1979, 68 (2-3) : 536 - 539
[3] QUADRUPOLE-MOMENT OF THE DEUTERON FROM A PRECISE CALCULATION OF THE ELECTRIC-FIELD GRADIENT IN D-2
BISHOP, DM
CHEUNG, LM
[J]. PHYSICAL REVIEW A, 1979, 20 (02): : 381 - 384
[4] QUADRUPOLE COUPLING-CONSTANT OF DEUTERIUM IN DC N-15 BY LAMB DIP MICROWAVE SPECTROSCOPY
CAZZOLI, G
ESPOSTI, CD
FAVERO, PG
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (14) : 1756 - 1757
[5] CHABALOWSKI C, 1983, INT J QUANTUM CHEM S, V17, P643
[6] MICROWAVE-SPECTRUM AND STRUCTURE OF NITROMETHANE
COX, AP
WARING, S
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1972, 68 (06): : 1060 - &
[7] MOLECULAR-BEAM MASER FOR SHORTER-MILLIMETER-WAVE REGION . SPECTRAL CONSTANTS OF HCN AND DCN
DELUCIA, F
GORDY, W
[J]. PHYSICAL REVIEW, 1969, 187 (01): : 58 - &
[8] N-15 AND C-13 SATELLITES IN PROTON SPECTRA OF NITROMETHANE ORIENTED IN A LYOTROPIC SOLVENT
DIEHL, P
BJORHOLM, T
AMREIN, J
[J]. ORGANIC MAGNETIC RESONANCE, 1981, 15 (01): : 104 - 105
[9] DEPENDENCE OF DEUTERON QUADRUPOLE COUPLING-CONSTANT, DIAMAGNETIC SHIELDING, AND DIAMAGNETIC SUSCEPTIBILITY OF METHANE ON INTERNUCLEAR DISTANCE
DIXON, M
CLAXTON, TA
OVERILL, RE
[J]. JOURNAL OF MAGNETIC RESONANCE, 1973, 12 (02) : 193 - 198
[10] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

← 1 2 3 4 →