Ab initio calculations on the electronic states of GaAr and GaAr+

Su Jin Park; Myeong Cheol Kim; Yoon Sup Lee; Gwang-Hi Jeung

doi:10.1063/1.474589

Ab initio calculations on the electronic states of GaAr and GaAr+

The Journal of Chemical Physics ◽

10.1063/1.474589 ◽

1997 ◽

Vol 107 (7) ◽

pp. 2481-2487 ◽

Cited By ~ 3

Author(s):

Su Jin Park ◽

Myeong Cheol Kim ◽

Yoon Sup Lee ◽

Gwang-Hi Jeung

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States

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Ab initio calculations on low‐lying electronic states of PdH

International Journal of Quantum Chemistry ◽

10.1002/qua.25967 ◽

2019 ◽

Vol 119 (17) ◽

Author(s):

Fathola A. Nabi ◽

Alireza Shayesteh

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States

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Spin–Orbit Splittings and Low-Lying Electronic States of AuSi and AuGe: Anion Photoelectron Spectroscopy and ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.8b01366 ◽

2018 ◽

Vol 122 (13) ◽

pp. 3374-3382 ◽

Cited By ~ 8

Author(s):

Quoc Tri Tran ◽

Sheng-Jie Lu ◽

Li-Juan Zhao ◽

Xi-Ling Xu ◽

Hong-Guang Xu ◽

...

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Photoelectron Spectroscopy ◽

Electronic States ◽

Spin Orbit ◽

Anion Photoelectron Spectroscopy

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The low-lying electronic states of cerium monoxide CeO: ab initio calculations using energy-adjusted pseudopotentials and spin-orbit operators

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(91)85223-t ◽

1991 ◽

Vol 231 ◽

pp. 243-255 ◽

Cited By ~ 34

Author(s):

Michael Dolg ◽

Hermann Stole ◽

Heinzwerner Preuss

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Spin Orbit

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Ab initio calculations on the ground and excited electronic states of KrH

Chemical Physics Letters ◽

10.1016/0009-2614(88)87221-x ◽

1988 ◽

Vol 149 (2) ◽

pp. 196-200 ◽

Cited By ~ 15

Author(s):

G. Theodorakopoulos ◽

I.D. Petsalakis

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Excited Electronic States

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Ab initio calculations of molecular properties of low–lying electronic states of 2–cyclopenten–1–one – link with biological activity

Journal of Molecular Modeling ◽

10.1007/s00894-012-1477-1 ◽

2012 ◽

Vol 18 (10) ◽

pp. 4751-4759 ◽

Cited By ~ 3

Author(s):

Jana Fišanová ◽

Ivan Černušák ◽

Vladimír Kellö

Keyword(s):

Biological Activity ◽

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Molecular Properties

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Electronic states and nature of bonding in the molecule MoC by all electron ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.473887 ◽

1997 ◽

Vol 106 (19) ◽

pp. 8093-8100 ◽

Cited By ~ 23

Author(s):

Irene Shim ◽

Karl A. Gingerich

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States

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Vibronic spectra, ab initio calculations, and structures of conformationally non-rigid molecules of oxalyl halides in the ground and lowest excited electronic states. Part I: Reanalysis of the 3680Å and 4100Å absorption systems of oxalyl chloride

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2009.02.019 ◽

2009 ◽

Vol 255 (1) ◽

pp. 39-44 ◽

Cited By ~ 12

Author(s):

I.A. Godunov ◽

N.N. Yakovlev ◽

S.I. Bokarev ◽

A.V. Abramenkov ◽

D.V. Maslov

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Oxalyl Chloride ◽

Electronic States ◽

Excited Electronic States ◽

Vibronic Spectra

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Cobalt tetracarbonyl hydride and cobalt tricarbonyl hydride revisited: structure and electronic states through ab initio calculations

The Journal of Physical Chemistry ◽

10.1021/j100377a029 ◽

1990 ◽

Vol 94 (14) ◽

pp. 5556-5559 ◽

Cited By ~ 12

Author(s):

Alain. Veillard ◽

Chantal. Daniel ◽

Marie Madeleine. Rohmer

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States

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Ab initio calculations on low-lying electronic states of SnCl2−and Franck–Condon simulation of its photodetachment spectrum

Physical Chemistry Chemical Physics ◽

10.1039/b715595f ◽

2008 ◽

Vol 10 (6) ◽

pp. 834-843 ◽

Cited By ~ 4

Author(s):

Edmond P. F. Lee ◽

John M. Dyke ◽

Daniel K. W. Mok ◽

Wan-ki Chow ◽

Foo-tim Chau

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Franck Condon ◽

Photodetachment Spectrum

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Vibronic spectra, ab initio calculations, and structures of conformationally non-rigid molecules of oxalyl halides in the ground and lowest excited electronic states. Part III: Theoretical investigation of oxalyl fluoride

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2009.12.006 ◽

2010 ◽

Vol 260 (1) ◽

pp. 50-56 ◽

Cited By ~ 8

Author(s):

S.I. Bokarev ◽

I.A. Godunov

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Investigation ◽

Electronic States ◽

Excited Electronic States ◽

Vibronic Spectra

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