Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions

2000 ◽  
Vol 112 (6) ◽  
pp. 2718-2735 ◽  
Author(s):  
Yongho Kim ◽  
José C. Corchado ◽  
Jordi Villà ◽  
Jianhua Xing ◽  
Donald G. Truhlar
Keyword(s):  
Potential Energy ◽  
Molecular Mechanics ◽  
Chemical Reactions ◽  
Potential Energy Surfaces ◽  
Energy Surfaces

Potential Energy Surfaces of Chemical Reactions

1983 ◽  
pp. 221-241 ◽  
Author(s):  
K. Morokuma ◽  
S. Kato ◽  
K. Kitaura ◽  
S. Obara ◽  
K. Ohta ◽  
...  
Keyword(s):  
Potential Energy ◽  
Chemical Reactions ◽  
Potential Energy Surfaces ◽  
Energy Surfaces

Potential Energy Surfaces for Metal-Assisted Chemical Reactions

2011 ◽  
Author(s):  
Tiziana Marino ◽  
Maria del Carmen Michelini ◽  
Nino Russo ◽  
Emilia Sicilia ◽  
Marirosa Toscano
Keyword(s):  
Potential Energy ◽  
Chemical Reactions ◽  
Potential Energy Surfaces ◽  
Energy Surfaces
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