Ab initio MCSCF MO calculation of the charge topology in hydrogen abstraction from methane by magnesium oxide and lithium monoxide molecules

1993 ◽  
Vol 97 (32) ◽  
pp. 8393-8398 ◽  
Author(s):  
Yosslen Aray ◽  
Jesus Rodriguez ◽  
Juan Murgich ◽  
Fernando Ruette
Keyword(s):  
Ab Initio ◽  
Magnesium Oxide ◽  
Hydrogen Abstraction ◽  
Mo Calculation ◽  
Charge Topology

Ab Initio Study on the Kinetics of Hydrogen Abstraction for the H + Alkene → H2+ Alkenyl Reaction Class

2007 ◽  
Vol 111 (11) ◽  
pp. 2156-2165 ◽  
Author(s):  
Lam K. Huynh ◽  
Sylwester Panasewicz ◽  
Artur Ratkiewicz ◽  
Thanh N. Truong
Keyword(s):  
Ab Initio ◽  
Hydrogen Abstraction ◽  
Ab Initio Study ◽  
Kinetics Of

scholarly journals Resist Investigation Method using ab initio MO Calculation on basis of Approximation Molecular Model

2017 ◽  
Vol 30 (5) ◽  
pp. 583-589 ◽  
Author(s):  
Shohei Nagata ◽  
Shota Niihara ◽  
Tetsuo Harada ◽  
Takeo Watanabe
Keyword(s):  
Ab Initio ◽  
Molecular Model ◽  
Investigation Method ◽  
Mo Calculation
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