scholarly journals Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation

2019 ◽  
Vol 4 (2) ◽  
pp. 298-315 ◽  
Author(s):  
Zhongyue Yang ◽  
Rimsha Mehmood ◽  
Mengyi Wang ◽  
Helena W. Qi ◽  
Adam H. Steeves ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Enzyme Catalysis ◽  
Active Sites ◽  
Large Scale ◽  
Quantum Mechanical ◽  
Length Scales ◽  
Mechanical Simulation ◽  
Mechanical Effects ◽  
Structure Simulation ◽  
Quantum Mechanical Effects

Large scale quantum mechanical simulation systematically reveals length scales over which electronically driven interactions occur at enzyme active sites.

scholarly journals Quantum mechanical effects in continuum charge flow models

2016 ◽  
pp. hxw037
Author(s):  
Jonathan P. Black ◽  
Christopher J.W. Breward ◽  
Peter D. Howell
Keyword(s):  
Quantum Mechanical ◽  
Flow Models ◽  
Mechanical Effects ◽  
Charge Flow ◽  
Quantum Mechanical Effects

QUANTUM-MECHANICAL EFFECTS ON BEAM CHOPPING

1984 ◽  
Vol 45 (C3) ◽  
pp. C3-229-C3-234 ◽  
Author(s):  
R. Gähler ◽  
R. Golub
Keyword(s):  
Quantum Mechanical ◽  
Mechanical Effects ◽  
Quantum Mechanical Effects
Sign in / Sign up

Export Citation Format

Share Document