Ab Initio MO Study of the Global Potential Energy Surface of C4H4in Triplet Electronic State and the Reactions of C(3Pj) with C3H4(Allene and Propyne) and C2(A3Πu) with C2H4(X1A1g+)

2000 ◽  
Vol 122 (8) ◽  
pp. 1776-1788 ◽  
Author(s):  
A. M. Mebel ◽  
R. I. Kaiser ◽  
Y. T. Lee
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Electronic State ◽  
Energy Surface ◽  
Ab Initio Mo

Ab initio properties and potential energy surface of the ground electronic state of BeHe2+

2006 ◽  
Vol 429 (1-3) ◽  
pp. 335-340 ◽  
Author(s):  
Alister J. Page ◽  
David J.D. Wilson ◽  
Ellak I. von Nagy-Felsobuki
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Electronic State ◽  
Energy Surface ◽  
Ground Electronic State
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