Mechanism and Quantum Mechanical Tunneling Effects on Inner Hydrogen Atom Transfer in Free Base Porphyrin:  A Direct ab Initio Dynamics Study

2000 ◽  
Vol 122 (5) ◽  
pp. 897-906 ◽  
Author(s):  
Dilip K. Maity ◽  
Robert L. Bell ◽  
Thanh N. Truong
Keyword(s):  
Hydrogen Atom ◽  
Ab Initio ◽  
Hydrogen Atom Transfer ◽  
Quantum Mechanical ◽  
Atom Transfer ◽  
Free Base ◽  
Quantum Mechanical Tunneling

Ab initio vibrational levels for HO2 and vibrational splittings for hydrogen atom transfer

1994 ◽  
Vol 101 (8) ◽  
pp. 6766-6775 ◽  
Author(s):  
V. J. Barclay ◽  
Christopher E. Dateo ◽  
I. P. Hamilton
Keyword(s):  
Hydrogen Atom ◽  
Ab Initio ◽  
Hydrogen Atom Transfer ◽  
Atom Transfer ◽  
Vibrational Levels

Photoinduced Hydrogen Atom Transfer of Free-Base Porphin

2000 ◽  
Vol 104 (19) ◽  
pp. 4549-4552 ◽  
Author(s):  
Kiet A. Nguyen ◽  
Ruth Pachter
Keyword(s):  
Hydrogen Atom ◽  
Hydrogen Atom Transfer ◽  
Atom Transfer ◽  
Free Base
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