scholarly journals Minimum Change of “Shapes” of Molecular Orbitals in the Elementary Chemical Reactions and a New Perspective of Quantum Chemistry

Forma ◽  
2017 ◽  
Author(s):  
Hiroyuki Nohira ◽  
Toshiyuki Nohira
Keyword(s):  
Quantum Chemistry ◽  
Chemical Reactions ◽  
Molecular Orbitals ◽  
Minimum Change ◽  
New Perspective ◽  
Elementary Chemical

Understanding mode-specific dynamics in the local mode representation

2018 ◽  
Vol 20 (29) ◽  
pp. 19647-19655 ◽  
Author(s):  
Hongwei Song ◽  
Minghui Yang
Keyword(s):  
Chemical Reactions ◽  
Reaction Dynamics ◽  
Local Mode ◽  
New Perspective ◽  
Elementary Chemical

Local mode representation provides a new perspective to understand reaction dynamics of elementary chemical reactions.

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