scholarly journals Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen

2019 ◽  
Vol 151 (10) ◽  
pp. 104311 ◽  
Author(s):  
Yinan Shu ◽  
Joanna Kryven ◽  
Antonio Gustavo Sampaio de Oliveira-Filho ◽  
Linyao Zhang ◽  
Guo-Liang Song ◽  
...  
Keyword(s):  
Potential Energy ◽  
Molecular Hydrogen ◽  
Potential Energy Surfaces ◽  
Analytic Representation ◽  
Energy Surfaces

Consistent analytic representation of the two lowest potential energy surfaces for Li3, Na3, and K3

1985 ◽  
Vol 82 (12) ◽  
pp. 5597-5603 ◽  
Author(s):  
Todd C. Thompson ◽  
Grant Izmirlian ◽  
Stephen J. Lemon ◽  
Donald G. Truhlar ◽  
C. Alden Mead
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Analytic Representation ◽  
Energy Surfaces

scholarly journals Complexes of Alkali Metal Cations and Molecular Hydrogen: Potential Energy Surfaces and Bound States

2019 ◽  
Vol 123 (39) ◽  
pp. 8397-8405
Author(s):  
Massimiliano Bartolomei ◽  
Tomás González-Lezana ◽  
José Campos-Martínez ◽  
Marta I. Hernández ◽  
Fernando Pirani
Keyword(s):  
Alkali Metal ◽  
Potential Energy ◽  
Molecular Hydrogen ◽  
Potential Energy Surfaces ◽  
Bound States ◽  
Metal Cations ◽  
Alkali Metal Cations ◽  
Energy Surfaces
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