Ab initio study of three-fold methyl torsion in 2-methyl-3-hydroxypyridine in ground electronic state (S0)

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Author(s):  
Ankit K. Srivastava ◽  
Swasti Saxena
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Ground Electronic State ◽  
Ab Initio Study ◽  
Methyl Torsion

Ab initio calculations of the properties of NO + in its ground electronic state X 1 Σ +

1993 ◽  
Vol 215 (6) ◽  
pp. 565-570 ◽  
Author(s):  
M. Fehér ◽  
P.A. Martin
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic State ◽  
Ground Electronic State

Ab initio study of the vibronic spectrum in the X 2Π electronic state of HCCS

2001 ◽  
Vol 114 (14) ◽  
pp. 6086-6099 ◽  
Author(s):  
M. Perić ◽  
C. M. Marian ◽  
S. D. Peyerimhoff
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Vibronic Spectrum ◽  
Ab Initio Study

Ab Initio Study of the Renner-Teller Effect in the X2Πu Electronic State of B2H+2

1995 ◽  
Vol 171 (2) ◽  
pp. 494-503 ◽  
Author(s):  
M. Peric ◽  
B. Engels ◽  
S.D. Peyerimhoff
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Teller Effect ◽  
Ab Initio 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

Accurate ab initio based DMBE potential energy surface for the ground electronic state of N2H2

2009 ◽  
Vol 131 (4) ◽  
pp. 044309 ◽  
Author(s):  
L. A. Poveda ◽  
M. Biczysko ◽  
A. J. C. Varandas
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Electronic State ◽  
Energy Surface ◽  
Ground Electronic State
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