ABINITIO CALCULATIONS OF BARRIER FOR INTERNAL-ROTATION IN NITROUS-ACID

被引：22

作者：

BENIOFF, P ^{[1
]}

DAS, G ^{[1
]}

WAHL, AC ^{[1
]}

机构：

[1] ARGONNE NATL LAB,CHEM DIV,ARGONNE,IL 60439

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 64卷 / 02期

关键词：

D O I：

10.1063/1.432216

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：710 / 717

页数：8

共 15 条

[1] Energy component analysis of rotational barriers
Allen, L. C.
[J]. CHEMICAL PHYSICS LETTERS, 1968, 2 (08) : 597 - 601
[2] NEW TECHNIQUES FOR COMPUTATION OF MULTICONFIGURATION SELF-CONSISTENT FIELD (MCSCF) WAVEFUNCTIONS
DAS, G
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) : 1769 - &
[3] DOR L, 1951, B SOC R SCI LIEGE, V12, P685
[4] 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 - +
[5] CENTRIFUGAL DISTORTION IN MICROWAVE-SPECTRA OF CIS-NITROUS AND TRANS-NITROUS ACIDS - DETERMINATION OF QUADRATIC POTENTIAL FUNCTIONS AND AVERAGE STRUCTURES
FINNIGAN, DJ
SMITH, JG
COX, AP
BRITTAIN, AH
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1972, 68 : 548 - &
[6] ELECTRONIC-STRUCTURE OF NITROGEN-DIOXIDE .1. MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATION OF LOW-LYING ELECTRONIC STATES
GILLISPIE, GD
KHAN, AU
WAHL, AC
HOSTENY, RP
KRAUSS, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08) : 3425 - 3444
[7] ISOMERIZATION OF NITROUS ACID - AN INFRARED PHOTOCHEMICAL REACTION
HALL, RT
PIMENTEL, GC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (08) : 1889 - &
[8] THE INFRARED SPECTRUM AND THE STRUCTURE OF GASEOUS NITROUS ACID
JONES, LH
BADGER, RM
MOORE, GE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1951, 19 (12) : 1599 - 1604
[9] ELECTRONIC-STRUCTURE OF CIS AND TRANS NITROUS ACIDS
LABARRE, JF
LEIBOVIC.C
[J]. CHEMICAL PHYSICS LETTERS, 1972, 14 (04) : 449 - &
[10] VIBRATIONAL SPECTRA OF ISOTOPIC NITRIC ACIDS
MCGRAW, GE
BERNITT, DL
HISATSUNE, IC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (01) : 237 - +

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