Theoretical studies of the reactions hydrogen atom + methylidyne .fwdarw. carbon + hydrogen and carbon + hydrogen .fwdarw. methylene using an ab initio global ground-state potential surface for methylene

1993 ◽  
Vol 97 (21) ◽  
pp. 5472-5481 ◽  
Author(s):  
Lawrence B. Harding ◽  
Renee Guadagnini ◽  
George C. Schatz
Keyword(s):  
Hydrogen Atom ◽  
Ab Initio ◽  
Ground State ◽  
Potential Surface ◽  
Theoretical Studies ◽  
State Potential

scholarly journals An accurate ground state potential surface for the scattering reaction F− + F2(v,j) → F2(v′,j′) + F−

RSC Advances ◽  
2019 ◽  
Vol 9 (4) ◽  
pp. 1929-1932 ◽  
Author(s):  
Dequan Wang ◽  
Deguo Wang ◽  
Liwei Fu ◽  
Jianyu Wang ◽  
Guang Shi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Potential Surface ◽  
Three Dimensional ◽  
Adiabatic Potential ◽  
State Potential

The accuracy of three-dimensional adiabatic potential energies for F3− ions is reduced with higher level ab initio methods.

New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range

2013 ◽  
Vol 139 (13) ◽  
pp. 134307 ◽  
Author(s):  
Vladimir G. Tyuterev ◽  
Roman V. Kochanov ◽  
Sergey A. Tashkun ◽  
Filip Holka ◽  
Péter G. Szalay
Keyword(s):  
Energy Range ◽  
Ab Initio ◽  
Analytical Model ◽  
Ground State ◽  
Potential Surface ◽  
High Energy ◽  
Electronic Ground State ◽  
State Potential ◽  
Electronic Ground

Ground-state potential surface of thiazyl fluoride (NSF) - an ab initio study

1982 ◽  
Vol 21 (9) ◽  
pp. 3473-3477 ◽  
Author(s):  
Rolf. Seeger ◽  
Ute. Seeger ◽  
Richard. Bartetzko ◽  
Rolf. Gleiter
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Potential Surface ◽  
Ab Initio Study ◽  
State Potential

Ab initio studies on the ground state potential surface and vibrational spectra of NSF and SNF

1984 ◽  
Vol 23 (16) ◽  
pp. 2428-2430 ◽  
Author(s):  
L. J. Schaad ◽  
B. Andes Hess ◽  
P. Carsky ◽  
R. Zahradnik
Keyword(s):  
Ab Initio ◽  
Vibrational Spectra ◽  
Ground State ◽  
Potential Surface ◽  
State Potential

scholarly journals The RbSr2Σ+ground state investigatedviaspectroscopy of hot and ultracold molecules

2018 ◽  
Vol 20 (41) ◽  
pp. 26221-26240 ◽  
Author(s):  
Alessio Ciamei ◽  
Jacek Szczepkowski ◽  
Alex Bayerle ◽  
Vincent Barbé ◽  
Lukas Reichsöllner ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Molecular Spectroscopy ◽  
Comprehensive Description ◽  
Ultracold Molecules ◽  
State Potential

A synthesis of information fromab initiocalculations and molecular spectroscopy allows a comprehensive description of the RbSr2Σ+ground-state potential.

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