Computer-assisted generation of chemical reaction networks. Applications in mechanistic studies of organometallic catalysis

被引：0
作者：
S. I. Shalgunov
A. V. Zeigarnik
L. G. Bruk
O. N. Temkin
机构：
[1] M. V. Lomonosov Moscow State Academy of Fine Chemical Technology,
来源：
Russian Chemical Bulletin | 1999年 / 48卷
关键词：
reaction mechanisms; application of computers; Chem Net program; ethane hydrogenolysis; ethylene hydrocarboxylation; ethylene hydroformylation; organometallic catalysis;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The Chem Net computer program designed for mechanistic studies of organic reactions occurring in solutions of metal complexes and on the surface of heterogeneous catalysts is proposed. The use of the program is illustrated by applications to catalyzed homogeneous hydrocarboxylation and hydroformylation of ethylene and heterogeneous hydrogenolysis of ethane.
引用
收藏
页码：1867 / 1874
页数：7
相关论文
共 64 条
[1]  
Temkin O. N.(1982)3 Vsesoyuz, konf. “Mekhanizm kataliticheskikh reaktsii Novosibirsk 2 101-101
[2]  
Bruk L. G.(1988)A Book of Abstracts of the First European Congress on Catalysis (EUROPACAT-1) Teor. Eksp. Khim. 24 282-282
[3]  
Temkin O. N.(1993)undefined Montpellier 1 207-207
[4]  
Bruk L. G.(1993)undefined Kinet. Katal. 34 445-445
[5]  
Bonchev D.(1995)undefined J. Mol. Catal. A: Chem. 104 9-9
[6]  
Bruk L. G.(1996)undefined Usp. Khim. 65 125-125
[7]  
Temkin O. N.(1998)undefined Izv. Akad. Nauk, Ser. Khim. 47 1104-1104
[8]  
Zeigarnik A. V.(1998)undefined Langmuir 14 4510-4510
[9]  
Temkin O. N.(1997)undefined Organomtallics 16 3114-3114
[10]  
Bruk L. G.(1998)undefined J. Mol. Catal., A: Chem. 130 29-29
1234567