ACTIVATION ENTROPIES OF FREE-RADICAL ADDITION-REACTIONS VIA MINDO-3-UHF-CALCULATIONS

被引：2
作者：
KOHLER, HJ
KNOLL, H
机构：
来源：
JOURNAL FUR PRAKTISCHE CHEMIE | 1981年 / 323卷 / 03期
关键词：
D O I：
10.1002/prac.19813230314
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
引用
收藏
页码：466 / 470
页数：5
相关论文
共 17 条
[1]   PHOTOCHEMICAL SMOG - RATE PARAMETER ESTIMATES AND COMPUTER SIMULATIONS [J].
BALDWIN, AC ;
BARKER, JR ;
GOLDEN, DM ;
HENDRY, DG .
JOURNAL OF PHYSICAL CHEMISTRY, 1977, 81 (25) :2483-2492
[2]  
BATT L, 1975, INT J CHEM KINET, V1, P441
[3]  
Benson S.W., 1976, THERMOCHEMICAL KINET, Vsecond
[4]   ADDITIVITY RULES FOR ESTIMATION OF THERMOCHEMICAL PROPERTIES [J].
BENSON, SW ;
CRUICKSHANK, FR ;
GOLDEN, DM ;
HAUGEN, GR ;
ONEAL, HE ;
RODGERS, AS ;
SHAW, R ;
WALSH, R .
CHEMICAL REVIEWS, 1969, 69 (03) :279-+
[5]   UNRESTRICTED OPEN-SHELL CALCULATIONS BY MINDO-3 - GEOMETRIES AND ELECTRONIC-STRUCTURE OF RADICALS [J].
BISCHOF, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (22) :6844-6849
[6]   NOTE ON TRANSITION-STATE OF RADICAL-ADDITION REACTIONS [J].
CLARK, DT ;
SCANLAN, IW ;
WALTON, JC .
CHEMICAL PHYSICS LETTERS, 1978, 55 (01) :102-106
[7]   GROUND-STATES OF MOLECULES .37. MINDO-3 CALCULATIONS OF MOLECULAR VIBRATION FREQUENCIES [J].
DEWAR, MJS ;
FORD, GP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (06) :1685-1691
[8]   GROUND-STATES OF MOLECULES 44.1 MINDO-3 CALCULATIONS OF ABSOLUTE HEAT-CAPACITIES AND ENTROPIES OF MOLECULES WITHOUT INTERNAL ROTATIONS [J].
DEWAR, MJS ;
FORD, GP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (24) :7822-7829
[9]   GROUND-STATES OF MOLECULES .48. MINDO-3 STUDY OF SOME RADICAL-ADDITION REACTIONS [J].
DEWAR, MJS ;
OLIVELLA, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (17) :5290-5295
[10]   CALCULATION OF POTENTIAL-ENERGY SURFACE OF RADICAL-ADDITION REACTIONS ON OLEFIN DOUBLE-BONDS - SEMI-EMPIRICAL STUDIES OF THE REACTION CH3+C2H4 [J].
GEY, E ;
KUHNEL, W .
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1979, 44 (12) :3649-3655
12