Methods of calculating and averaging rate constants

被引：63

作者：

Roseveare, WE ^{[1
]}

机构：

[1] Univ Wisconsin, Lab Phys Chem, Madison, WI USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1931年 / 53卷 / 02期

关键词：

D O I：

10.1021/ja01356a004

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1651 / 1661

页数：11

共 50 条

[1] A COMPARISON OF VARIOUS METHODS FOR CALCULATING UNIMOLECULAR REACTION-RATE CONSTANTS
WESTON, RE
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1986, 18 (11) : 1259 - 1276
[2] ON THE ESTIMATION OF METHODS OF CALCULATING COPOLYMERIZATION CONSTANTS
KOROTKOV, AK
CHERNYSHOV, AV
KIREEV, VV
VYSOKOMOLEKULYARNYE SOEDINENIYA SERIYA A & SERIYA B, 1994, 36 (07): : 1191 - 1196
[3] CALCULATING ABSORPTION RATE CONSTANTS FOR DRUGS WITH INCOMPLETE AVAILABILITY
LEESON, LJ
WEINTRAUB, H
JOURNAL OF PHARMACEUTICAL SCIENCES, 1973, 62 (12) : 1936 - 1941
[4] IMPROVED METHOD OF CALCULATING REACTION RATE CONSTANTS FOR FREE RADICALS
SWEENY, RF
JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (04): : 987 - 988
[5] Variational transition-state theory methods for calculating reaction rate constants in gas and condensed phases.
Garrett, B
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 218 : U606 - U606
[6] CALCULATING RATE CONSTANTS IN FORWARD DRUG TRANSFER-REACTIONS
THOMPSON, WO
CHRISTIAN, ST
JOURNAL OF PHARMACEUTICAL SCIENCES, 1973, 62 (02) : 328 - 330
[7] Centroid-based methods for calculating quantum reaction rate constants: Centroid sampling versus centroid dynamics
Shi, Q
Geva, E
JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (08): : 3223 - 3233
[8] CALCULATING RATE CONSTANTS OF ELECTRON-TRANSFER IN A POLAR MEDIUM
KHARKATS, YI
SOVIET ELECTROCHEMISTRY, 1976, 12 (04): : 566 - 569
[9] EQUIVALENT METHODS OF CALCULATING DIATOMIC CENTRIFUGAL-DISTORTION CONSTANTS
TELLINGHUISEN, J
ALBRITTON, DL
JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 57 (01) : 160 - 163
[10] APPROXIMATE METHODS FOR CALCULATING ROTATIONAL DIFFUSION CONSTANTS OF RIGID MACROMOLECULES
DELATORRE, JG
MARTINEZ, MCL
MOLINA, JJG
MACROMOLECULES, 1987, 20 (03) : 661 - 666

← 1 2 3 4 5 →