ABINITIO MOLECULAR-ORBITAL CALCULATION OF THE METHYL NITRITE SYN-ANTI ISOMERIZATION POTENTIAL

被引:9
作者
DARSEY, JA [1 ]
THOMPSON, DL [1 ]
机构
[1] OKLAHOMA STATE UNIV,DEPT CHEM,STILLWATER,OK 74078
关键词
D O I
10.1016/0009-2614(88)87413-X
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:523 / 528
页数:6
相关论文
共 17 条
[1]   KINETICS OF THE SYN REVERSIBLE ANTI ISOMERIZATION OF METHYL NITRITE [J].
BAUER, SH ;
TRUE, NS .
JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (20) :2507-2516
[2]   INTRAMOLECULAR CONVERSIONS OVER LOW BARRIERS .7. THE AZIRIDINE INVERSION INTRINSICALLY NON-RRKM [J].
BORCHARDT, DB ;
BAUER, SH .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (09) :4980-4988
[3]   CONFORMATIONAL KINETICS OF METHYL NITRITE .2. PHASE DEPENDENCE OF KINETIC-PARAMETERS [J].
CHAUVEL, JP ;
TRUE, NS .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (08) :3561-3568
[4]   CONFORMATIONAL KINETICS OF METHYL NITRITE .1. NMR SPECTRAL EVIDENCE FOR STATISTICAL INTRAMOLECULAR VIBRATIONAL REDISTRIBUTION [J].
CHAUVEL, JP ;
CONBOY, CB ;
CHEW, WM ;
MATSON, GB ;
SPRING, CA ;
ROSS, BD ;
TRUE, NS .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (04) :1469-1476
[5]   ABINITIO MOLECULAR-ORBITAL CALCULATION OF THE HONO TORSIONAL POTENTIAL [J].
DARSEY, JA ;
THOMPSON, DL .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (12) :3168-3171
[6]   MICROWAVE-SPECTRA OF GROUND AND EXCITED VIBRATIONAL-STATES OF CIS-METHYL NITRITE, CH3ONO [J].
GHOSH, PN ;
BAUDER, A ;
GUNTHARD, HH .
CHEMICAL PHYSICS, 1980, 53 (1-2) :39-50
[7]   INFRARED MATRIX SPECTRA, NORMAL COORDINATE ANALYSIS AND VALENCE FORCE-FIELD OF 6 ISOTOPOMERS OF METHYL NITRITE [J].
GHOSH, PN ;
GUNTHARD, HH .
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1981, 37 (12) :1055-1065
[8]  
GUAN Y, UNPUB J CHEM PHYS
[9]  
GWINN WD, 1968, B AM PHYS SOC, V13, P831
[10]   STRUCTURAL RELAXATION UPON INTERNAL-ROTATION IN CIS-METHYL NITRITE, CH3ONO [J].
HA, TK ;
MEYER, R ;
GHOSH, PN ;
BAUDER, A ;
GUNTHARD, HH .
CHEMICAL PHYSICS LETTERS, 1981, 81 (03) :610-614