Theoretical study of valance photoelectron spectra of hypoxanthine, xanthine, and caffeine using direct symmetry-adapted cluster/configuration interaction methodology

Hossein Farrokhpour; Fariman Fathi

doi:10.1002/jcc.21832

Theoretical study of valance photoelectron spectra of hypoxanthine, xanthine, and caffeine using direct symmetry-adapted cluster/configuration interaction methodology

Journal of Computational Chemistry ◽

10.1002/jcc.21832 ◽

2011 ◽

Vol 32 (11) ◽

pp. 2479-2491 ◽

Cited By ~ 17

Author(s):

Hossein Farrokhpour ◽

Fariman Fathi

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Photoelectron Spectra ◽

Cluster Configuration

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Theoretical study of valence photoelectron spectra of Re(CO)5X (X=Cl, Br, and I): A spin-orbit DK3 symmetry-adapted cluster/symmetry-adapted cluster-configuration interaction study

The Journal of Chemical Physics ◽

10.1063/1.2206186 ◽

2006 ◽

Vol 124 (22) ◽

pp. 224307 ◽

Cited By ~ 6

Author(s):

Takahito Nakajima ◽

Shintaro Hane ◽

Kimihiko Hirao

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Photoelectron Spectra ◽

Spin Orbit ◽

Interaction Study ◽

Cluster Configuration

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Theoretical study of the singlet and triplet vertical electronic transitions of styrene by the symmetry adapted cluster-configuration interaction method

Chemical Physics ◽

10.1016/j.chemphys.2004.03.028 ◽

2004 ◽

Vol 302 (1-3) ◽

pp. 125-134 ◽

Cited By ~ 8

Author(s):

Jian Wan ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Electronic Transitions ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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Theoretical study on molecular and dissociative chemisorptions of an O2 molecule on an Ag surface: dipped adcluster model combined with symmetry-adapted cluster-configuration interaction method

Chemical Physics Letters ◽

10.1016/0009-2614(90)85346-e ◽

1990 ◽

Vol 174 (3-4) ◽

pp. 283-286 ◽

Cited By ~ 41

Author(s):

Hiroshi Nakatsuji ◽

Hiromi Nakai

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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Theoretical Study on the Excited Electronic States of Coronene and Its π-Extended Molecules Using the Symmetry-Adapted Cluster-Configuration Interaction Method

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.20120317 ◽

2013 ◽

Vol 86 (4) ◽

pp. 445-451 ◽

Cited By ~ 6

Author(s):

Ryoichi Fukuda ◽

Masahiro Ehara

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Electronic States ◽

Interaction Method ◽

Excited Electronic States ◽

Configuration Interaction Method ◽

Cluster Configuration

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Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study

The Journal of Chemical Physics ◽

10.1063/1.1487827 ◽

2002 ◽

Vol 117 (5) ◽

pp. 2045-2052 ◽

Cited By ~ 39

Author(s):

Yasushi Honda ◽

Masahiko Hada ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Cluster Configuration

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Theoretical study of the vertical excited states of benzene, pyrimidine, and pyrazine by the symmetry adapted cluster—Configuration interaction method

Journal of Computational Chemistry ◽

10.1002/jcc.20555 ◽

2007 ◽

Vol 28 (10) ◽

pp. 1658-1667 ◽

Cited By ~ 35

Author(s):

Yongjian Li ◽

Jian Wan ◽

Xin Xu

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Theoretical Study ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration

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Symmetry adapted cluster–configuration interaction calculation of the photoelectron spectra of famous biological active steroids

Journal of Molecular Structure ◽

10.1016/j.molstruc.2014.07.040 ◽

2014 ◽

Vol 1076 ◽

pp. 69-79 ◽

Cited By ~ 4

Author(s):

Fatemeh Abyar ◽

Hossein Farrokhpour

Keyword(s):

Configuration Interaction ◽

Photoelectron Spectra ◽

Cluster Configuration

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Photoelectron Spectra of Some Important Biological Molecules: Symmetry-Adapted-Cluster Configuration Interaction Study

The Journal of Physical Chemistry B ◽

10.1021/jp311213c ◽

2013 ◽

Vol 117 (20) ◽

pp. 6027-6041 ◽

Cited By ~ 21

Author(s):

Hossein Farrokhpour ◽

Maryam Ghandehari

Keyword(s):

Configuration Interaction ◽

Biological Molecules ◽

Photoelectron Spectra ◽

Interaction Study ◽

Cluster Configuration

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Excitation Spectra of Cation and Anion Radicals of Several Unsaturated Hydrocarbons: Symmetry Adapted Cluster-Configuration Interaction Theoretical Study

The Journal of Physical Chemistry A ◽

10.1021/jp3051565 ◽

2012 ◽

Vol 116 (48) ◽

pp. 11833-11845 ◽

Cited By ~ 9

Author(s):

Yasushi Honda ◽

Tadamasa Shida ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Excitation Spectra ◽

Unsaturated Hydrocarbons ◽

Cluster Configuration ◽

Anion Radicals

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Theoretical study of the valence‐shell photoelectron spectra of cis‐, trans‐, and iso‐butene

The Journal of Chemical Physics ◽

10.1063/1.469110 ◽

1995 ◽

Vol 102 (18) ◽

pp. 7158-7162 ◽

Cited By ~ 3

Author(s):

V. Galasso

Keyword(s):

Theoretical Study ◽

Photoelectron Spectra ◽

Valence Shell

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