Canonical Variational Theory for Enzyme Kinetics with the Protein Mean Force and Multidimensional Quantum Mechanical Tunneling Dynamics. Theory and Application to Liver Alcohol Dehydrogenase

2001 ◽  
Vol 105 (45) ◽  
pp. 11326-11340 ◽  
Author(s):  
Cristóbal Alhambra ◽  
José Corchado ◽  
Maria Luz Sánchez ◽  
Mireia Garcia-Viloca ◽  
Jiali Gao ◽  
...  
Keyword(s):  
Alcohol Dehydrogenase ◽  
Enzyme Kinetics ◽  
Quantum Mechanical ◽  
Variational Theory ◽  
Quantum Mechanical Tunneling ◽  
Liver Alcohol Dehydrogenase ◽  
Tunneling Dynamics

scholarly journals Contact Electrification by Quantum-Mechanical Tunneling

Research ◽  
2019 ◽  
Vol 2019 ◽  
pp. 1-11 ◽  
Author(s):  
Morten Willatzen ◽  
Zhong Lin Wang
Keyword(s):  
Potential Versus ◽  
Coulomb Repulsion ◽  
Quantum Mechanical ◽  
Quantum Mechanical Tunneling ◽  
One Dimensional ◽  
Contact Electrification ◽  
Order Of Magnitude ◽  
Left And Right ◽  
Tunneling Dynamics ◽  
Vacuum Gap

A simple model of charge transfer by loss-less quantum-mechanical tunneling between two solids is proposed. The model is applicable to electron transport and contact electrification between e.g. a metal and a dielectric solid. Based on a one-dimensional effective-mass Hamiltonian, the tunneling transmission coefficient of electrons through a barrier from one solid to another solid is calculated analytically. The transport rate (current) of electrons is found using the Tsu-Esaki equation and accounting for different Fermi functions of the two solids. We show that the tunneling dynamics is very sensitive to the vacuum potential versus the two solids conduction-band edges and the thickness of the vacuum gap. The relevant time constants for tunneling and contact electrification, relevant for triboelectricity, can vary over several orders of magnitude when the vacuum gap changes by one order of magnitude, say, 1 Å to 10 Å. Coulomb repulsion between electrons on the left and right material surfaces is accounted for in the tunneling dynamics.

EXAFS INVESTIGATION OF THE STRUCTURAL SITE OF LIVER ALCOHOL DEHYDROGENASE

1986 ◽  
Vol 47 (C8) ◽  
pp. C8-1165-C8-1168
Author(s):  
M. ZEPPEZAUER ◽  
C. HAAS ◽  
W. MARET ◽  
C. HERMES ◽  
R. F. PETTIFER
Keyword(s):  
Alcohol Dehydrogenase ◽  
Liver Alcohol Dehydrogenase ◽  
Structural Site

Spin-forbidden heavy-atom tunneling in the ring-closure of triplet cyclopentane-1,3-diyl

2021 ◽  
Author(s):  
Luís P. Viegas ◽  
Cláudio Manaia Nunes ◽  
Rui Fausto
Keyword(s):  
Heavy Atom ◽  
Ring Closure ◽  
Quantum Mechanical ◽  
Quantum Mechanical Tunneling

In 1975, Buchwalter and Closs reported one of the first examples of heavy-atom quantum mechanical tunneling (QMT) by studying the ring closure of triplet cyclopentane-1,3-diyl to singlet bicyclo[2.1.0]pentane in cryogenic...

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