Ab Initio Studies on the Radiationless Decay Mechanisms of the Lowest Excited Singlet States of 9H-Adenine

Serhiy Perun; Andrzej L. Sobolewski; Wolfgang Domcke

doi:10.1021/ja044321c

Ab Initio Studies on the Radiationless Decay Mechanisms of the Lowest Excited Singlet States of 9H-Adenine

Journal of the American Chemical Society ◽

10.1021/ja044321c ◽

2005 ◽

Vol 127 (17) ◽

pp. 6257-6265 ◽

Cited By ~ 241

Author(s):

Serhiy Perun ◽

Andrzej L. Sobolewski ◽

Wolfgang Domcke

Keyword(s):

Ab Initio ◽

Excited Singlet ◽

Singlet States ◽

Excited Singlet States ◽

Radiationless Decay

Download Full-text

Electronic structure of the photoactive yellow protein chromophore: Ab initio study of the low-lying excited singlet states

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/j.jphotochem.2007.04.033 ◽

2007 ◽

Vol 190 (2-3) ◽

pp. 241-257 ◽

Cited By ~ 60

Author(s):

Evgeniy V. Gromov ◽

Irene Burghardt ◽

James T. Hynes ◽

Horst Köppel ◽

Lorenz S. Cederbaum

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Photoactive Yellow Protein ◽

Ab Initio Study ◽

Excited Singlet ◽

Singlet States ◽

Excited Singlet States

Download Full-text

An ab initio quantum chemical study of vertically excited singlet states of pyrimidine

Chemical Physics ◽

10.1016/0301-0104(92)85012-j ◽

1992 ◽

Vol 162 (2-3) ◽

pp. 359-367 ◽

Cited By ~ 31

Author(s):

Per-Åke Malmqvist ◽

Björn O. Roos ◽

Markus P. Fülscher ◽

Alistair P. Rendell

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Excited Singlet ◽

Singlet States ◽

Excited Singlet States

Download Full-text

Ab initio study of the excited singlet states of all-trans α,ω-diphenylpolyenes with one to seven polyene double bonds: Simulation of the spectral data within Franck–Condon approximation

The Journal of Chemical Physics ◽

10.1063/1.3261729 ◽

2009 ◽

Vol 131 (17) ◽

pp. 174313 ◽

Cited By ~ 17

Author(s):

Wataru Mizukami ◽

Yuki Kurashige ◽

Masahiro Ehara ◽

Takeshi Yanai ◽

Takao Itoh

Keyword(s):

Ab Initio ◽

Spectral Data ◽

Ab Initio Study ◽

Double Bonds ◽

Excited Singlet ◽

Singlet States ◽

Condon Approximation ◽

Excited Singlet States ◽

Franck Condon

Download Full-text

Radiationless decay of the second excited singlet states of aromatic thiones: Experimental verification of the energy gap law

Chemical Physics ◽

10.1016/0301-0104(84)85054-5 ◽

1984 ◽

Vol 87 (2) ◽

pp. 295-303 ◽

Cited By ~ 46

Author(s):

A. Maciejewski ◽

A. Safarzadeh-Amiri ◽

R.E. Verrall ◽

R.P. Steer

Keyword(s):

Experimental Verification ◽

Energy Gap ◽

Excited Singlet ◽

Singlet States ◽

Energy Gap Law ◽

Excited Singlet States ◽

Radiationless Decay

Download Full-text

The structure of 5-cyanoindole in the ground and the lowest electronically excited singlet states, deduced from rotationally resolved electronic spectroscopy and ab initio theory

Physical Chemistry Chemical Physics ◽

10.1039/c2cp41094j ◽

2012 ◽

Vol 14 (29) ◽

pp. 10266 ◽

Cited By ~ 20

Author(s):

Olivia Oeltermann ◽

Christian Brand ◽

Bernd Engels ◽

Jörg Tatchen ◽

Michael Schmitt

Keyword(s):

Ab Initio ◽

Electronic Spectroscopy ◽

Excited Singlet ◽

Singlet States ◽

Ab Initio Theory ◽

Electronically Excited ◽

Excited Singlet States

Download Full-text

Ab Initio MCSCF Study on Electronically Excited Singlet States of Fulvalene Systems: Energy Component Analysis of the Pseudo-Jahn−Teller Effect

The Journal of Physical Chemistry A ◽

10.1021/jp980567q ◽

1998 ◽

Vol 102 (33) ◽

pp. 6668-6675 ◽

Cited By ~ 7

Author(s):

Azumao Toyota ◽

Shiro Koseki

Keyword(s):

Ab Initio ◽

Component Analysis ◽

Teller Effect ◽

Excited Singlet ◽

Energy Component ◽

Singlet States ◽

Electronically Excited ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Excited Singlet States

Download Full-text

Ab initio study of the ground and first excited singlet states of aniline

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)90397-3 ◽

1997 ◽

Vol 392 ◽

pp. 181-191 ◽

Cited By ~ 16

Author(s):

J.C. Jiang ◽

C.E. Lin

Keyword(s):

Ab Initio ◽

Ab Initio Study ◽

Excited Singlet ◽

Singlet States ◽

Excited Singlet States

Download Full-text

Ab initio study of the ground and first excited singlet states of aniline

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04856-7 ◽

1997 ◽

Vol 392 (1) ◽

pp. 181-191 ◽

Cited By ~ 16

Author(s):

J Jiang

Keyword(s):

Ab Initio ◽

Ab Initio Study ◽

Excited Singlet ◽

Singlet States ◽

Excited Singlet States

Download Full-text

Ab initio studies of the dipole moment and polarizability of azulene in its ground and excited singlet states

Chemical Physics Letters ◽

10.1016/j.cplett.2005.07.028 ◽

2005 ◽

Vol 412 (4-6) ◽

pp. 365-368 ◽

Cited By ~ 18

Author(s):

Alan Hinchliffe ◽

Humberto J Soscún

Keyword(s):

Dipole Moment ◽

Ab Initio ◽

Excited Singlet ◽

Singlet States ◽

Excited Singlet States

Download Full-text

Vibronic spectra of the lower excited singlet states of styrene: A Time Dependent Density Functional Theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2006.12.103 ◽

2007 ◽

Vol 435 (4-6) ◽

pp. 224-229 ◽

Cited By ~ 14

Author(s):

Mattijs de Groot ◽

Wybren Jan Buma

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Excited Singlet ◽

Functional Theory ◽

Vibronic Spectra ◽

Singlet States ◽

Excited Singlet States ◽

Dependent Density

Download Full-text