Hydrogenation without a metal catalyst:: An ab initio study on the mechanism of the metal-free hydrogenase from Methanobacterium thermoautotrophicum

被引：29

作者：

Teles, JH ^{[1
]}

Brode, S

Berkessel, A

机构：

[1] BASF AG, Ammoniaklab, D-67056 Ludwigshafen, Germany

[2] Univ Cologne, Inst Organ Chem, D-50939 Cologne, Germany

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1998年 / 120卷 / 06期

关键词：

D O I：

10.1021/ja972320x

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1345 / 1346

页数：2

共 25 条

[1] ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE
AHLRICHS, R
BAR, M
HASER, M
HORN, H
KOLMEL, C
[J]. CHEMICAL PHYSICS LETTERS, 1989, 162 (03) : 165 - 169
[2] NICKEL HYDROGENASES - IN SEARCH OF THE ACTIVE-SITE
ALBRACHT, SPJ
[J]. BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS, 1994, 1188 (03): : 167 - 204
[3] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
BECKE, AD
[J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
[4] ON THE MECHANISM OF CATALYSIS BY A METAL-FREE HYDROGENASE FROM METHANOGENIC ARCHAEA - ENZYMATIC TRANSFORMATION OF H-2 WITHOUT A METAL AND ITS ANALOGY TO THE CHEMISTRY OF ALKANES IN SUPERACIDIC SOLUTION
BERKESSEL, A
THAUER, RK
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1995, 34 (20): : 2247 - 2250
[5] Berkessel A., 1995, ANGEW CHEM, V107, P2418
[6] Geometry-tunable Lewis acidity of amidinium cations and its relevance to redox reactions of the Thauer metal-free hydrogenase: A theoretical study
Cioslowski, J
Boche, G
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1997, 36 (1-2): : 107 - 109
[7] CIOSLOWSKI J, 1997, ANGEW CHEM, V109, P165
[8] AUXILIARY BASIS-SETS TO APPROXIMATE COULOMB POTENTIALS
EICHKORN, K
TREUTLER, O
OHM, H
HASER, M
AHLRICHS, R
[J]. CHEMICAL PHYSICS LETTERS, 1995, 240 (04) : 283 - 289
[9] SEMIDIRECT MP2 GRADIENT EVALUATION ON WORKSTATION COMPUTERS - THE MPGRAD PROGRAM
HAASE, F
AHLRICHS, R
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1993, 14 (08) : 907 - 912
[10] HOGEVEEN H, 1968, RECL TRAV CHIM PAY-B, V87, P319

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