Accurate ab initio potential energy curves and spectroscopic properties of the four lowest singlet states of C2

Highlights in Theoretical Chemistry - Thom H. Dunning, Jr. ◽

10.1007/978-3-662-47051-0_5 ◽

2013 ◽

pp. 47-58

Author(s):

Jeffery S. Boschen ◽

Daniel Theis ◽

Klaus Ruedenberg ◽

Theresa L. Windus

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Spectroscopic Properties ◽

Potential Energy Curves ◽

Singlet States

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Accurate ab initio potential energy curves and spectroscopic properties of the four lowest singlet states of C2

Theoretical Chemistry Accounts ◽

10.1007/s00214-013-1425-x ◽

2013 ◽

Vol 133 (2) ◽

Cited By ~ 32

Author(s):

Jeffery S. Boschen ◽

Daniel Theis ◽

Klaus Ruedenberg ◽

Theresa L. Windus

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Spectroscopic Properties ◽

Potential Energy Curves ◽

Singlet States

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Accurate ab initio potential energy curves and spectroscopic properties of the low-lying electronic states of OH− and SH− molecular anions

Molecular Physics ◽

10.1080/00268976.2016.1191690 ◽

2016 ◽

Vol 114 (14) ◽

pp. 2204-2216 ◽

Cited By ~ 15

Author(s):

Berthelot Said Duvalier Ramlina Vamhindi ◽

Mama Nsangou

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Electronic States ◽

Spectroscopic Properties ◽

Potential Energy Curves ◽

Molecular Anions

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Ab initio calculation on the potential energy curves and spectroscopic properties of the low-lying excited states of BCl

Acta Physica Sinica ◽

10.7498/aps.62.063301 ◽

2013 ◽

Vol 62 (6) ◽

pp. 063301

Author(s):

Yu Kun ◽

Zhang Xiao-Mei ◽

Liu Yu-Fang

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Ab Initio Calculation ◽

Spectroscopic Properties ◽

Potential Energy Curves

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Ab initio calculation of the potential energy curves and spectroscopic properties of BP molecule

Acta Physica Sinica ◽

10.7498/aps.63.073302 ◽

2014 ◽

Vol 63 (7) ◽

pp. 073302

Author(s):

Wang Wen-Bao ◽

Yu Kun ◽

Zhang Xiao-Mei ◽

Liu Yu-Fang

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ab Initio Calculation ◽

Spectroscopic Properties ◽

Potential Energy Curves

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Ab initio potential-energy curves for excited electronic states of the molecular ion AsCl+

Chemical Physics Letters ◽

10.1016/s0009-2614(96)01294-8 ◽

1997 ◽

Vol 264 (1-2) ◽

pp. 134-138

Author(s):

Gap-Sue Kim ◽

David M. Hirst

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Electronic States ◽

Potential Energy Curves ◽

Excited Electronic States ◽

Molecular Ion

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Structure and spectroscopic properties of the beryllium hydride ion BeH+: potential energy curves, spectroscopic constants, vibrational levels and permanent dipole moments

The European Physical Journal D ◽

10.1140/epjd/e2013-40141-3 ◽

2013 ◽

Vol 67 (11) ◽

Cited By ~ 13

Author(s):

Mohamed Farjallah ◽

Chedli Ghanmi ◽

Hamid Berriche

Keyword(s):

Potential Energy ◽

Dipole Moments ◽

Spectroscopic Properties ◽

Potential Energy Curves ◽

Spectroscopic Constants ◽

Hydride Ion ◽

Vibrational Levels

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Ab initio potential energy curves for several molecular states of the multiply charged ion (OHe)6+

Chemical Physics Letters ◽

10.1016/0009-2614(89)85349-7 ◽

1989 ◽

Vol 155 (2) ◽

pp. 199-202 ◽

Cited By ~ 7

Author(s):

K. Amezian ◽

M.C. Bacchus-Montabonel

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Curves ◽

Multiply Charged

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Ab initio complex potential energy curves of the He*(1s2p 1P)–Li dimer

The Journal of Chemical Physics ◽

10.1063/5.0008337 ◽

2020 ◽

Vol 152 (18) ◽

pp. 184303 ◽

Cited By ~ 5

Author(s):

Arie Landau ◽

Anael Ben-Asher ◽

Kirill Gokhberg ◽

Lorenz S. Cederbaum ◽

Nimrod Moiseyev

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Complex Potential ◽

Potential Energy Curves

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Potential-energy curves of the torsional mode of 1,1′-binaphthyl in the ground and lowest excited singlet states. A CS–INDO/CI study

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29878302139 ◽

1987 ◽

Vol 83 (11) ◽

pp. 2139-2149 ◽

Cited By ~ 22

Author(s):

Ivan Baraldi ◽

Glauco Ponterini ◽

Fabio Momicchioli

Keyword(s):

Potential Energy ◽

Potential Energy Curves ◽

Excited Singlet ◽

Torsional Mode ◽

Singlet States ◽

Excited Singlet States

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Photophysically relevant potential energy functions of low-lying singlet states of benzene, pyridine and pyrazine: an ab initio study

Chemical Physics Letters ◽

10.1016/0009-2614(91)90337-9 ◽

1991 ◽

Vol 180 (4) ◽

pp. 381-386 ◽

Cited By ~ 30

Author(s):

A.L. Sobolewski ◽

W. Domcke

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ab Initio Study ◽

Energy Functions ◽

Potential Energy Functions ◽

Singlet States

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