Ab initio molecular orbital/Rice–Ramsperger–Kassel–Marcus theory study of multichannel rate constants for the unimolecular decomposition of benzene and the H+C6H5 reaction over the ground electronic state

2001 ◽  
Vol 114 (19) ◽  
pp. 8421-8435 ◽  
Author(s):  
A. M. Mebel ◽  
M. C. Lin ◽  
D. Chakraborty ◽  
J. Park ◽  
S. H. Lin ◽  
...  
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Molecular Orbital ◽  
Rate Constants ◽  
Marcus Theory ◽  
Ground Electronic State ◽  
Unimolecular Decomposition

The ground electronic state of silaethylene. An ab initio molecular orbital study of the lower electronic manifold

1976 ◽  
Vol 98 (6) ◽  
pp. 1622-1624 ◽  
Author(s):  
O. P. Strausz ◽  
L. Gammie ◽  
G. Theodorakoupoulos ◽  
P. G. Mezey ◽  
I. G. Csizmadia
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Molecular Orbital ◽  
Ground Electronic State ◽  
Molecular Orbital Study ◽  
Orbital Study

Ab initio investigation of the Renner–Teller effect in the ground electronic state of HCCD+

1999 ◽  
Vol 110 (10) ◽  
pp. 4783-4787 ◽  
Author(s):  
M. Perić ◽  
B. Ostojić ◽  
J. Radić-Perić
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Teller Effect ◽  
Ground Electronic State

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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