Excited singlet electronic states of acetylene:cisandtransstructures and energetics

S. P. So; Ross W. Wetmore; Henry F. Schaefer

doi:10.1063/1.440049

Excited singlet electronic states of acetylene:cisandtransstructures and energetics

The Journal of Chemical Physics ◽

10.1063/1.440049 ◽

1980 ◽

Vol 73 (11) ◽

pp. 5706-5710 ◽

Cited By ~ 31

Author(s):

S. P. So ◽

Ross W. Wetmore ◽

Henry F. Schaefer

Keyword(s):

Electronic States ◽

Excited Singlet

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Vibrational potentials of the low frequency out‐of‐plane motion in the ground and excited singlet electronic states of 9,10‐dihydrophenanthrene

The Journal of Chemical Physics ◽

10.1063/1.462427 ◽

1992 ◽

Vol 96 (10) ◽

pp. 7229-7236 ◽

Cited By ~ 9

Author(s):

Marek Z. Zgierski ◽

Francesco Zerbetto ◽

Young‐Dong Shin ◽

Edward C. Lim

Keyword(s):

Low Frequency ◽

Electronic States ◽

Plane Motion ◽

Excited Singlet ◽

Out Of Plane

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Calculated vibrational spectra of glyoxal and oxalyl halides in the ground and first excited singlet electronic states

Journal of Structural Chemistry ◽

10.1007/bf02762651 ◽

1997 ◽

Vol 38 (2) ◽

pp. 231-235

Author(s):

V. I. Tyulin ◽

G. M. Kuramshina ◽

Yu. A. Pentin ◽

Le Hyu Ho

Keyword(s):

Vibrational Spectra ◽

Electronic States ◽

Excited Singlet

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Ab initio description of the structure and dynamics of the nitrosomethane molecule in the first excited singlet and triplet electronic states

International Journal of Quantum Chemistry ◽

10.1002/qua.10745 ◽

2003 ◽

Vol 96 (6) ◽

pp. 589-597 ◽

Cited By ~ 8

Author(s):

Eugeniy K. Dolgov ◽

Vadim A. Bataev ◽

Vladimir I. Pupyshev ◽

Igor A. Godunov

Keyword(s):

Ab Initio ◽

Electronic States ◽

Excited Singlet ◽

Structure And Dynamics

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Semiempirical determination of torsional potentials and electronic properties of bithiophene, terthiophene and 3′,4′-dihexyl-2,2′:5′,2″-terthiophene in their ground and first excited singlet and triplet electronic states

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04796-3 ◽

1997 ◽

Vol 391 (1-2) ◽

pp. 85-99 ◽

Cited By ~ 19

Author(s):

Michel Belletête ◽

Nicolas Di Cèsare ◽

Mario Leclerc ◽

Gilles Durocher

Keyword(s):

Electronic Properties ◽

Electronic States ◽

Excited Singlet ◽

Torsional Potentials

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ChemInform Abstract: EXCITED SINGLET ELECTRONIC STATES OF ACETYLENE: CIS AND TRANS STRUCTURES AND ENERGETICS

Chemischer Informationsdienst ◽

10.1002/chin.198116074 ◽

1981 ◽

Vol 12 (16) ◽

Author(s):

S. P. SO ◽

R. W. WETMORE ◽

H. F. III SCHAEFER

Keyword(s):

Electronic States ◽

Excited Singlet ◽

Cis And Trans

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Features of the fluorine-substituted acetaldehydes dynamics in the low-lying electronic states: Quantum mechanical study of the CHF2CHO molecule lowest excited singlet state

International Journal of Quantum Chemistry ◽

10.1002/qua.10179 ◽

2002 ◽

Vol 88 (4) ◽

pp. 414-425 ◽

Cited By ~ 6

Author(s):

Vadim A. Bataev ◽

Eugeniy K. Dolgov ◽

Alexandr V. Abramenkov ◽

Vladimir I. Pupyshev ◽

Igor A. Godunov

Keyword(s):

Singlet State ◽

Electronic States ◽

Excited Singlet State ◽

Quantum Mechanical ◽

Excited Singlet ◽

Mechanical Study ◽

Quantum Mechanical Study

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Structure of acetyl chloride molecule isotopomers CH3COCl and CD3COCl in the ground and lowest excited singlet and triplet electronic states: a quantum mechanical study

Russian Chemical Bulletin ◽

10.1007/s11172-005-0217-4 ◽

2005 ◽

Vol 54 (1) ◽

pp. 62-70 ◽

Cited By ~ 4

Author(s):

A. V. Kudich ◽

V. A. Bataev ◽

I. A. Godunov

Keyword(s):

Acetyl Chloride ◽

Electronic States ◽

Quantum Mechanical ◽

Excited Singlet ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Chloride Molecule

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Internal Conversion from Upper Electronic States to the First Excited Singlet State of Benzene, Toluene,p‐Xylene, and Mesitylene

The Journal of Chemical Physics ◽

10.1063/1.1734507 ◽

1963 ◽

Vol 39 (7) ◽

pp. 1645-1652 ◽

Cited By ~ 79

Author(s):

Charles L. Braun ◽

Shunji Kato ◽

Sanford Lipsky

Keyword(s):

Internal Conversion ◽

Singlet State ◽

Electronic States ◽

Excited Singlet State ◽

Excited Singlet ◽

Benzene Toluene

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Theoretical study of the structure of propanal in the first excited singlet and triplet electronic states: three-dimensional model for torsional and inversion vibrations

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(03)00130-1 ◽

2003 ◽

Vol 631 (1-3) ◽

pp. 39-51 ◽

Cited By ~ 13

Author(s):

A.V. Kudich ◽

V.A. Bataev ◽

A.V. Abramenkov ◽

V.I. Pupyshev ◽

I.A. Godunov

Keyword(s):

Theoretical Study ◽

Three Dimensional ◽

Electronic States ◽

Dimensional Model ◽

Three Dimensional Model ◽

Excited Singlet ◽

And Inversion

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Study of Some Excited Singlet and Triplet Electronic States of Fluorene

The Journal of Chemical Physics ◽

10.1063/1.1672154 ◽

1969 ◽

Vol 51 (3) ◽

pp. 903-912 ◽

Cited By ~ 71

Author(s):

A. Bree ◽

R. Zwarich

Keyword(s):

Electronic States ◽

Excited Singlet

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