Ab initio SCF and CI study of the HCS+-CSH+ system: Potential surfaces for hydrogen abstraction and internuclear bending For ground and excited states and vertical spectrum for HCS+

1978 ◽  
Vol 27 (1) ◽  
pp. 33-43 ◽  
Author(s):  
Pablo J. Bruna ◽  
Sigrid D. Peyerimhoff ◽  
Robert J. Buenker
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Hydrogen Abstraction ◽  
Potential Surfaces

Laser‐induced desorption of NO from NiO(100): Ab initio calculations of potential surfaces for intermediate excited states

1996 ◽  
Vol 104 (24) ◽  
pp. 10030-10040 ◽  
Author(s):  
T. Klüner ◽  
H.‐J. Freund ◽  
J. Freitag ◽  
V. Staemmler
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States ◽  
Potential Surfaces

An SCF and MRD-CI study of the ground and excited states of the He + H2 system. I. Calculated potential surfaces

1978 ◽  
Vol 34 (3) ◽  
pp. 403-422 ◽  
Author(s):  
Joachim Römelt ◽  
Sigrid D. Peyerimhoff ◽  
Robert J. Buenker
Keyword(s):  
Excited States ◽  
Potential Surfaces

Ab Initio Study on the Kinetics of Hydrogen Abstraction for the H + Alkene → H2+ Alkenyl Reaction Class

2007 ◽  
Vol 111 (11) ◽  
pp. 2156-2165 ◽  
Author(s):  
Lam K. Huynh ◽  
Sylwester Panasewicz ◽  
Artur Ratkiewicz ◽  
Thanh N. Truong
Keyword(s):  
Ab Initio ◽  
Hydrogen Abstraction ◽  
Ab Initio Study ◽  
Kinetics Of

Ab initio calculations on the ground and excited states of InI

2003 ◽  
Vol 101 (19) ◽  
pp. 2963-2968 ◽  
Author(s):  
WENLI ZOU ◽  
MEIRONG LIN ◽  
XINZHENG YANG ◽  
BAOZHENG ZHANG
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States

An ab initio study of the ground and low-lying excited states of KBe with the effect of inner-shell electrons

2013 ◽  
Vol 139 (7) ◽  
pp. 074305 ◽  
Author(s):  
Ke-La Xiao ◽  
Chuan-Lu Yang ◽  
Mei-Shan Wang ◽  
Xiao-Guang Ma ◽  
Wen-Wang Liu
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Study
Sign in / Sign up

Export Citation Format

Share Document