Conical intersections between the two lowest 1A′ potential energy surfaces of HCN, and the role of three-body effects

1997 ◽  
Vol 107 (23) ◽  
pp. 10014-10028 ◽  
Author(s):  
A. J. C. Varandas ◽  
A. I. Voronin ◽  
P. Jimeno
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Conical Intersections ◽  
Three Body ◽  
Energy Surfaces

Conical intersections between three lowest adiabatic potential energy surfaces of the oxonium ion

2003 ◽  
Vol 373 (3-4) ◽  
pp. 258-265 ◽  
Author(s):  
F Di Giacomo ◽  
F Schneider ◽  
E.E Nikitin
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Adiabatic Potential ◽  
Conical Intersections ◽  
Energy Surfaces

Exploring the potential energy surfaces of association of NO with aminoacids and related organic functional groups: the role of entropy of association

2007 ◽  
Vol 118 (3) ◽  
pp. 649-663 ◽  
Author(s):  
Rachel Crespo-Otero ◽  
Yoana Pérez-Badell ◽  
Juan Alexander Padrón-García ◽  
Luis Alberto Montero-Cabrera
Keyword(s):  
Potential Energy ◽  
Functional Groups ◽  
Potential Energy Surfaces ◽  
Organic Functional Groups ◽  
Energy Surfaces

The role of the ground and excited potential energy surfaces in the O(1D and 3P)+SiH4 reactions: A theoretical study

2001 ◽  
Vol 114 (24) ◽  
pp. 10816-10834 ◽  
Author(s):  
Thanh Lam Nguyen ◽  
Alexander M. Mebel ◽  
Sheng H. Lin
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Theoretical Study ◽  
Energy Surfaces

Potential-energy surfaces related to the thermal decomposition of ethyl azide: The role of intersystem crossings

2000 ◽  
Vol 113 (6) ◽  
pp. 2282-2289 ◽  
Author(s):  
Juan F. Arenas ◽  
Juan I. Marcos ◽  
Isabel López-Tocón ◽  
Juan C. Otero ◽  
Juan Soto
Keyword(s):  
Thermal Decomposition ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Energy Surfaces
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