Ab initio study of a biradical radiationless decay channel of the lowest excited electronic state of cytosine and its derivatives

2005 ◽  
Vol 123 (8) ◽  
pp. 081101 ◽  
Author(s):  
Marek Z. Zgierski ◽  
Serguei Patchkovskii ◽  
Edward C. Lim
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Decay Channel ◽  
Excited Electronic State ◽  
Ab Initio Study ◽  
Radiationless Decay

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

An ab initio study of the dissociation of HNCO in the S1 electronic state

1998 ◽  
Vol 108 (4) ◽  
pp. 1452-1458 ◽  
Author(s):  
Jonathan E. Stevens ◽  
Qiang Cui ◽  
Keiji Morokuma
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Ab Initio Study

Ab initio study of the vibronic and spin–orbit structure in the X 2Π electronic state of CCCH

2003 ◽  
Vol 118 (10) ◽  
pp. 4444-4451 ◽  
Author(s):  
M. Perić ◽  
M. Mladenović ◽  
K. Tomić ◽  
C. M. Marian
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Spin Orbit ◽  
Ab Initio Study ◽  
Orbit Structure
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