Quantum Mechanical Study of the Potential Energy Surface of the ClO + NO2Reaction

2005 ◽  
Vol 45 (1) ◽  
pp. 58-64 ◽  
Author(s):  
Saša Kovačič ◽  
Antonija Lesar ◽  
Milan Hodošček
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Quantum Mechanical ◽  
Mechanical Study ◽  
Quantum Mechanical Study

Quantum-Mechanical Study of the Collision Dynamics of O2(3Σg−) + O2(3Σg−) on a New ab Initio Potential Energy Surface†

2009 ◽  
Vol 113 (52) ◽  
pp. 14952-14960 ◽  
Author(s):  
Jesús Pérez-Ríos ◽  
Massimiliano Bartolomei ◽  
José Campos-Martínez ◽  
Marta I. Hernández ◽  
Ramón Hernández-Lamoneda
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Quantum Mechanical ◽  
Collision Dynamics ◽  
Mechanical Study ◽  
Quantum Mechanical Study

Improved quantum mechanical study of the potential energy surface for the bithiophene molecule

2000 ◽  
Vol 113 (10) ◽  
pp. 4206-4215 ◽  
Author(s):  
Hélio A. Duarte ◽  
Hélio F. Dos Santos ◽  
Willian R. Rocha ◽  
Wagner B. De Almeida
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Quantum Mechanical ◽  
Mechanical Study ◽  
Quantum Mechanical Study

The search for stationary points on a quantum mechanical/molecular mechanical potential-energy surface

2002 ◽  
Vol 107 (3) ◽  
pp. 147-153 ◽  
Author(s):  
Xavier Prat-Resina ◽  
Mireia Garcia-Viloca ◽  
Gerald Monard ◽  
Angels González-Lafont ◽  
José M. Lluch ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Stationary Points ◽  
Quantum Mechanical
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