Vibronic spectra, ab initio calculations, and structures of conformationally non-rigid molecules of oxalyl halides in the ground and lowest excited electronic states – Part VI: Oxalyl bromide (COBr)2 and summary

I.A. Godunov; S.I. Bokarev; D.V. Maslov; N.N. Yakovlev

doi:10.1016/j.jms.2011.07.003

Vibronic spectra, ab initio calculations, and structures of conformationally non-rigid molecules of oxalyl halides in the ground and lowest excited electronic states – Part VI: Oxalyl bromide (COBr)2 and summary

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2011.07.003 ◽

2011 ◽

Vol 269 (2) ◽

pp. 201-210 ◽

Cited By ~ 2

Author(s):

I.A. Godunov ◽

S.I. Bokarev ◽

D.V. Maslov ◽

N.N. Yakovlev

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Excited Electronic States ◽

Vibronic Spectra

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

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2009.05.004 ◽

2009 ◽

Vol 256 (2) ◽

pp. 247-255 ◽

Cited By ~ 10

Author(s):

S.I. Bokarev ◽

V.I. Pupyshev ◽

I.A. Godunov

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Investigation ◽

Oxalyl Chloride ◽

Electronic States ◽

Excited Electronic States ◽

Vibronic Spectra

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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 V: Oxalyl chloridefluoride (COCl–COF)

Structural Chemistry ◽

10.1007/s11224-010-9705-8 ◽

2010 ◽

Vol 22 (2) ◽

pp. 293-304 ◽

Cited By ~ 4

Author(s):

I. A. Godunov ◽

S. I. Bokarev ◽

D. V. Maslov

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Excited Electronic States ◽

Vibronic Spectra

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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 IV: Analysis of the absorption spectra of oxalyl fluoride in the gas phase

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2010.02.002 ◽

2010 ◽

Vol 260 (2) ◽

pp. 124-129 ◽

Cited By ~ 5

Author(s):

I.A. Godunov ◽

N.N. Yakovlev ◽

D.V. Maslov ◽

S.I. Bokarev

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Absorption Spectra ◽

Electronic States ◽

Excited Electronic States ◽

Vibronic Spectra

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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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A study of the excited electronic states of normal and fully deuterated furan by photoabsorption spectroscopy and high-level ab initio calculations

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2015.03.002 ◽

2015 ◽

Vol 315 ◽

pp. 184-195 ◽

Cited By ~ 9

Author(s):

D.M.P. Holland ◽

E.A. Seddon ◽

A.B. Trofimov ◽

E.V. Gromov ◽

M. Wormit ◽

...

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Excited Electronic States ◽

High Level

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Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra

Chemical Physics ◽

10.1016/s0301-0104(96)00363-1 ◽

1997 ◽

Vol 215 (3) ◽

pp. 329-341 ◽

Cited By ~ 31

Author(s):

Alexander M. Mebel ◽

Sheng-Hsien Lin

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Electronic States ◽

Methyl Radical ◽

Excited Electronic States ◽

Excitation Energies ◽

Molecular Orbital Study ◽

Vibronic Spectra ◽

Orbital Study

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Structure and dynamics of conformationally non-rigid molecules in excited electronic states: Ab initio calculations of the R2CO (R=H, F, Cl)

Journal of Molecular Structure ◽

10.1016/s0022-2860(98)00813-8 ◽

1999 ◽

Vol 480-481 ◽

pp. 263-267 ◽

Cited By ~ 6

Author(s):

V.A Bataev ◽

V.I Pupyshev ◽

I.A Godunov

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Excited Electronic States ◽

Structure And Dynamics

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Excited electronic states of thiophene: high resolution photoabsorption Fourier transform spectroscopy and ab initio calculations

Physical Chemistry Chemical Physics ◽

10.1039/c4cp02420f ◽

2014 ◽

Vol 16 (39) ◽

pp. 21629-21644 ◽

Cited By ~ 20

Author(s):

D. M. P. Holland ◽

A. B. Trofimov ◽

E. A. Seddon ◽

E. V. Gromov ◽

T. Korona ◽

...

Keyword(s):

Fourier Transform ◽

High Resolution ◽

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Fourier Transform Spectroscopy ◽

Excited Electronic States

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