ABINITIO QUANTUM-CHEMICAL STUDY OF THE UNIMOLECULAR PYROLYSIS MECHANISMS OF FORMIC-ACID

被引：107

作者：

RUELLE, P

KESSELRING, UW

NAMTRAN, H

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1986年 / 108卷 / 03期

关键词：

D O I：

10.1021/ja00263a004

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：371 / 375

页数：5

相关论文

共 23 条

[1] INFRARED-SPECTRA OF OC-HX HYDROGEN-BONDED COMPLEXES IN SOLID ARGON
ANDREWS, L
ARLINGHAUS, RT
JOHNSON, GL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (11) : 6347 - 6352
[2] CONFORMATIONAL ENERGETICS IN HYDROGEN-BONDED DIMERS - THE UNOBSERVED CO-HF COMPLEX
BENZEL, MA
DYKSTRA, CE
[J]. CHEMICAL PHYSICS, 1983, 80 (03) : 273 - 278
[3] BINKLEY JS, 1983, PROGRAM GAUSSIAN 82
[4] DEHYDRATION MECHANISMS IN THERMAL DECOMPOSITION OF GASEOUS FORMIC ACID
BLAKE, PG
DAVIES, HH
JACKSON, GE
[J]. JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC, 1971, (10): : 1923 - &
[5] THE HOMOGENEOUS DECOMPOSITION REACTIONS OF GASEOUS FORMIC ACID
BLAKE, PG
HINSHELWOOD, C
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 255 (1283): : 444 - 455
[6] INVESTIGATION OF THE DIFFERENCES IN STABILITY OF THE OC ... HF AND CO ... HF COMPLEXES
CURTISS, LA
POCHATKO, DJ
REED, AE
WEINHOLD, F
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (06) : 2679 - 2687
[7] OPTIMALLY CONDITIONED OPTIMIZATION ALGORITHMS WITHOUT LINE SEARCHES
DAVIDON, WC
[J]. MATHEMATICAL PROGRAMMING, 1975, 9 (01) : 1 - 30
[8] GRIMALDI F, 1967, INT J QUANTUM CHEM S, V2, P106
[9] HSU DSY, 1983, 19TH INT S COMB PITT, P89
[10] THE ROTATIONAL SPECTRUM, H, F-19 NUCLEAR-SPIN NUCLEAR-SPIN COUPLING, D-NUCLEAR QUADRUPOLE COUPLING, AND MOLECULAR-GEOMETRY OF A WEAKLY BOUND DIMER OF CARBON-MONOXIDE AND HYDROGEN-FLUORIDE
LEGON, AC
SOPER, PD
FLYGARE, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (09) : 4944 - 4950