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

Hossein Farrokhpour; Maryam Ghandehari

doi:10.1021/jp311213c

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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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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Excited states of Na and Al iso-electronic ions: Symmetry adapted cluster-configuration interaction study

International Journal of Quantum Chemistry ◽

10.1002/qua.10037 ◽

2002 ◽

Vol 87 (2) ◽

pp. 81-88 ◽

Cited By ~ 2

Author(s):

A. K. Das ◽

M. Ehara ◽

H. Nakatsuji

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Interaction Study ◽

Cluster Configuration

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Ionized and excited states of ferrocene: Symmetry adapted cluster–configuration–interaction study

The Journal of Chemical Physics ◽

10.1063/1.1504709 ◽

2002 ◽

Vol 117 (14) ◽

pp. 6533-6537 ◽

Cited By ~ 27

Author(s):

Kazuya Ishimura ◽

Masahiko Hada ◽

Hiroshi Nakatsuji

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Interaction Study ◽

Cluster Configuration

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Symmetry adapted cluster‐configuration interaction study on the excited and ionized states of TiBr4 and TiI4

The Journal of Chemical Physics ◽

10.1063/1.468259 ◽

1994 ◽

Vol 101 (9) ◽

pp. 7658-7671 ◽

Cited By ~ 36

Author(s):

Hiroshi Nakatsuji ◽

Masahiro Ehara

Keyword(s):

Configuration Interaction ◽

Interaction Study ◽

Cluster Configuration

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Symmetry-adapted-cluster configuration interaction study of the doublet states of HCl+: Potential energy curves, dipole moments, and transition dipole moments

The Journal of Chemical Physics ◽

10.1063/1.2710260 ◽

2007 ◽

Vol 126 (12) ◽

pp. 124321 ◽

Cited By ~ 9

Author(s):

Valerij S. Gurin ◽

Mikhail V. Korolkov ◽

Vitaly E. Matulis ◽

Sergei K. Rakhmanov

Keyword(s):

Potential Energy ◽

Configuration Interaction ◽

Dipole Moments ◽

Potential Energy Curves ◽

Interaction Study ◽

Transition Dipole ◽

Transition Dipole Moments ◽

Cluster Configuration

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Electronic excitation spectra of radical anions of cyanoethylenes and cyanobenzenes: Symmetry adapted cluster–configuration interaction study

The Journal of Chemical Physics ◽

10.1063/1.4722335 ◽

2012 ◽

Vol 136 (21) ◽

pp. 214306 ◽

Cited By ~ 7

Author(s):

Hiroyuki Nakashima ◽

Tadamasa Shida ◽

Hiroshi Nakatsuji

Keyword(s):

Configuration Interaction ◽

Electronic Excitation ◽

Radical Anions ◽

Interaction Study ◽

Excitation Spectra ◽

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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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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Ab initio configuration‐interaction study of the photoelectron spectra of small sodium cluster anions

The Journal of Chemical Physics ◽

10.1063/1.456862 ◽

1989 ◽

Vol 91 (6) ◽

pp. 3794-3795 ◽

Cited By ~ 51

Author(s):

V. Bonačić‐Koutecký ◽

P. Fantucci ◽

J. Koutecký

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Photoelectron Spectra ◽

Cluster Anions ◽

Interaction Study ◽

Sodium Cluster

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A multireference configuration interaction study of photoelectron spectra of carbon tetrahalides

Chemical Physics Letters ◽

10.1016/0009-2614(93)89066-q ◽

1993 ◽

Vol 208 (3-4) ◽

pp. 225-231 ◽

Cited By ~ 5

Author(s):

S. Roszak ◽

M. Vijayakumar ◽

K. Balasubramanian ◽

W.S. Koski

Keyword(s):

Configuration Interaction ◽

Photoelectron Spectra ◽

Interaction Study

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