scholarly journals Publisher’s Note: “A new ab initio potential-energy surface for NH2(X2A″) and quantum studies of NH2 vibrational spectrum and rate constant for the N(D2)+H2→NH+H reaction” [J. Chem. Phys. 128, 224316 (2008)]

2008 ◽  
Vol 129 (12) ◽  
pp. 129902 ◽  
Author(s):  
Shulan Zhou ◽  
Daiqian Xie ◽  
Shi Ying Lin ◽  
Hua Guo
Keyword(s):  
Potential Energy ◽  
Vibrational Spectrum ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Rate Constant ◽  
Energy Surface ◽  
Chem Phys

scholarly journals Rate constant calculations of the GeH4 + OH/OD → GeH3 + H2O/HOD reactions using an ab initio based full-dimensional potential energy surface

2016 ◽  
Vol 18 (25) ◽  
pp. 16941-16949 ◽  
Author(s):  
J. Espinosa-Garcia ◽  
C. Rangel ◽  
J. C. Corchado
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Saddle Point ◽  
Ab Initio ◽  
Rate Constant ◽  
Energy Surface ◽  
Entry And Exit ◽  
Analytical Potential

2D representation of the analytical potential energy surface. The saddle point and the complexes in the entry and exit channels are included.

Sign in / Sign up

Export Citation Format

Share Document