Simulations of quantum mechanical corrections for rate constants of hydride-transfer reactions in enzymes and solutions

J. K. Hwang; Z. T. Chu; A. Yadav; A. Warshel

doi:10.1021/j100175a009

Simulations of quantum mechanical corrections for rate constants of hydride-transfer reactions in enzymes and solutions

The Journal of Physical Chemistry ◽

10.1021/j100175a009 ◽

1991 ◽

Vol 95 (22) ◽

pp. 8445-8448 ◽

Cited By ~ 118

Author(s):

J. K. Hwang ◽

Z. T. Chu ◽

A. Yadav ◽

A. Warshel

Keyword(s):

Rate Constants ◽

Hydride Transfer ◽

Transfer Reactions ◽

Quantum Mechanical ◽

Hydride Transfer Reactions

Download Full-text

ChemInform Abstract: Hydride-Transfer Reactions. Temperature Dependence of Rate Constants for i-C3H+ 7 + HC(CH3)3 = C3H8 + C(CH3)+ 3. Clusters of i-C3H+ 7 and t-C4H+ 9 with Propane and Isobutane.

ChemInform ◽

10.1002/chin.198935118 ◽

1989 ◽

Vol 20 (35) ◽

Author(s):

J. A. SUNNER ◽

K. HIRAO ◽

P. KEBARLE

Keyword(s):

Temperature Dependence ◽

Rate Constants ◽

Hydride Transfer ◽

Transfer Reactions ◽

Hydride Transfer Reactions

Download Full-text

Hydride-transfer reactions: temperature dependence of rate constants for isopropyl(1+) + isobutane = propane + tert-butyl(1+); clusters of isopropyl(1+) and tert-butyl(1+) with propane and isobutane

The Journal of Physical Chemistry ◽

10.1021/j100347a030 ◽

1989 ◽

Vol 93 (10) ◽

pp. 4010-4016 ◽

Cited By ~ 22

Author(s):

Jan A. Sunner ◽

Kimihiko Hirao ◽

Paul Kebarle

Keyword(s):

Temperature Dependence ◽

Rate Constants ◽

Hydride Transfer ◽

Transfer Reactions ◽

Tert Butyl ◽

Hydride Transfer Reactions

Download Full-text

Hydride transfer reactions III: Rates of hydride transfer from isobutane to hydroxycarbonium ions

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19730920716 ◽

1973 ◽

Vol 92 (7) ◽

pp. 809-813 ◽

Cited By ~ 10

Author(s):

D. M. Brouwer ◽

A. A. Kiffen

Keyword(s):

Hydride Transfer ◽

Transfer Reactions ◽

Hydride Transfer Reactions

Download Full-text

Insight into the kinetics and thermodynamics of the hydride transfer reactions between quinones and lumiflavin: a density functional theory study

Journal of Molecular Modeling ◽

10.1007/s00894-016-3074-1 ◽

2016 ◽

Vol 22 (9) ◽

Cited By ~ 2

Author(s):

Clorice R. Reinhardt ◽

Tanner C. Jaglinski ◽

Ashly M. Kastenschmidt ◽

Eun H. Song ◽

Adam K. Gross ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hydride Transfer ◽

Transfer Reactions ◽

Density Functional Theory Study ◽

Functional Theory ◽

Kinetics And Thermodynamics ◽

Hydride Transfer Reactions ◽

Insight Into

Download Full-text

Hydride-transfer reactions of [(h5-cyclohexadienyl)(h5-cyclopentadienyl)iron] alkylium ions

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(00)82149-x ◽

1976 ◽

Vol 108 (2) ◽

pp. C11-C14 ◽

Cited By ~ 8

Author(s):

M.M. Khan ◽

W.E. Watts

Keyword(s):

Hydride Transfer ◽

Transfer Reactions ◽

Hydride Transfer Reactions

Download Full-text

Effect of isotope scrambling and tunneling on the kinetic and product isotope effects for reduced nicotinamide adenine dinucleotide model hydride transfer reactions

Journal of the American Chemical Society ◽

10.1021/ja00362a019 ◽

1983 ◽

Vol 105 (24) ◽

pp. 7139-7149 ◽

Cited By ~ 68

Author(s):

Michael F. Powell ◽

Thomas C. Bruice

Keyword(s):

Nicotinamide Adenine Dinucleotide ◽

Isotope Effects ◽

Hydride Transfer ◽

Transfer Reactions ◽

Nicotinamide Adenine ◽

Hydride Transfer Reactions ◽

Reduced Nicotinamide Adenine Dinucleotide ◽

Product Isotope

Download Full-text

Kinematics of hydride transfer reactions in methylsilane

10.2172/4248454 ◽

1974 ◽

Author(s):

T.M. Mayer ◽

F.W. Lampe

Keyword(s):

Hydride Transfer ◽

Transfer Reactions ◽

Hydride Transfer Reactions

Download Full-text

HYDRIDE-TRANSFER REACTIONS OF CARBON BLACK

Proceedings of the Fifth Conference on Carbon ◽

10.1016/b978-0-08-009708-4.50021-3 ◽

1963 ◽

pp. 199-209 ◽

Cited By ~ 4

Author(s):

DONALD RIVIN

Keyword(s):

Carbon Black ◽

Hydride Transfer ◽

Transfer Reactions ◽

Hydride Transfer Reactions

Download Full-text

organocatalytic hydride transfer reactions

Catalysis from A to Z ◽

10.1002/9783527809080.cataz11982 ◽

2020 ◽

Keyword(s):

Hydride Transfer ◽

Transfer Reactions ◽

Hydride Transfer Reactions

Download Full-text

Substituent Effects on Temperature Dependence of Kinetic Isotope Effects in Hydride-Transfer Reactions of NADH/NAD+ Analogues in Solution: Reaction Center Rigidity Is the Key

Organic Letters ◽

10.1021/acs.orglett.0c02049 ◽

2020 ◽

Vol 22 (15) ◽

pp. 5963-5967

Author(s):

Peter Maness ◽

Shailendra Koirala ◽

Pratichhya Adhikari ◽

Nasim Salimraftar ◽

Yun Lu

Keyword(s):

Temperature Dependence ◽

Reaction Center ◽

Isotope Effects ◽

Substituent Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Solution Reaction ◽

Hydride Transfer Reactions

Download Full-text