Structure and dynamics of acrolein in lowest excited1,3(n,π*) electronic states: The quantum-chemical study

Olga S. Bokareva; Vadim A. Bataev; Vladimir I. Pupyshev; Igor A. Godunov

doi:10.1002/qua.21803

Structure and dynamics of acrolein in lowest excited1,3(n,π*) electronic states: The quantum-chemical study

International Journal of Quantum Chemistry ◽

10.1002/qua.21803 ◽

2008 ◽

Vol 108 (14) ◽

pp. 2719-2731 ◽

Cited By ~ 22

Author(s):

Olga S. Bokareva ◽

Vadim A. Bataev ◽

Vladimir I. Pupyshev ◽

Igor A. Godunov

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study ◽

Structure And Dynamics

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Structure and dynamics of acrolein in 1,3(π,π*) excited electronic states: A quantum-chemical study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2009.03.008 ◽

2009 ◽

Vol 73 (4) ◽

pp. 654-662 ◽

Cited By ~ 6

Author(s):

O.S. Bokareva ◽

V.A. Bataev ◽

V.I. Pupyshev ◽

I.A. Godunov

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study ◽

Excited Electronic States ◽

Structure And Dynamics

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REACTION KINETICS OF CO AND CH4 MOLECULES WITH O2 IN EXCITED ELECTRONIC STATES: QUANTUM CHEMICAL STUDY

8th International Symposium on Nonequilibrium Processes, Plasma, Combustion, and Atmospheric Phenomena held Том. Volum 1. Kinetics and plasma ◽

10.30826/nepcap2018-1-03 ◽

2018 ◽

Author(s):

A. S SHARIPOV ◽

◽

A. V. PELEVKIN ◽

Keyword(s):

Reaction Kinetics ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study ◽

Excited Electronic States ◽

Kinetics Of

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Quantum Chemical Study of the Low-Lying Electronic States of VSi3–/0 Clusters and Interpretation of the Anion Photoelectron Spectrum

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b05653 ◽

2016 ◽

Vol 120 (29) ◽

pp. 5950-5957 ◽

Cited By ~ 10

Author(s):

Van Tan Tran ◽

Quoc Tri Tran

Keyword(s):

Quantum Chemical ◽

Photoelectron Spectrum ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study

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Quantum-chemical study of the excited electronic states of adenine and guanine

Theoretical and Experimental Chemistry ◽

10.1007/bf00568924 ◽

1985 ◽

Vol 20 (6) ◽

pp. 674-678

Author(s):

O. V. Shramko

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study ◽

Excited Electronic States

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3P111 Mechanism of glycosidic bond cleavage in collision induced dissociation : quantum chemical study((Hemeproteins. Electronic states. Proteins-structure and structure-function relationship,Oral Presentations)

Seibutsu Butsuri ◽

10.2142/biophys.47.s230_4 ◽

2007 ◽

Vol 47 (supplement) ◽

pp. S230

Author(s):

Satoshi Yokojima ◽

Tatiana A. Romanova ◽

Akinori Murakami ◽

Shusaku Daikoku ◽

Osamu Kanie ◽

...

Keyword(s):

Structure Function ◽

Quantum Chemical ◽

Bond Cleavage ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study ◽

Collision Induced Dissociation ◽

Glycosidic Bond Cleavage ◽

Function Relationship ◽

Oral Presentations

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Ab initio quantum-chemical study of the lower-lying electronic states of o-benzyne

Chemical Physics Letters ◽

10.1016/0009-2614(92)85048-f ◽

1992 ◽

Vol 198 (3-4) ◽

pp. 259-265 ◽

Cited By ~ 9

Author(s):

Hans Ulrich Suter ◽

Tae-Kyu Ha

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study

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Origin of the Individual Basicity of Corrole NH-Tautomers: A Quantum Chemical Study on Molecular Structure and Dynamics, Kinetics, and Thermodynamics

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b02869 ◽

2015 ◽

Vol 119 (26) ◽

pp. 6875-6883 ◽

Cited By ~ 12

Author(s):

Wichard Beenken ◽

Wouter Maes ◽

Mikalai Kruk ◽

Todd Martínez ◽

Martin Presselt

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Kinetics And Thermodynamics ◽

Structure And Dynamics ◽

The Individual

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Quantum chemical study on the equilibrium geometries of S3and S−3, The electron affinity of S3and the low lying electronic states of S−3

The Journal of Chemical Physics ◽

10.1063/1.469350 ◽

1995 ◽

Vol 102 (15) ◽

pp. 6159-6167 ◽

Cited By ~ 28

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Johannes Natterer ◽

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Keyword(s):

Electron Affinity ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study ◽

Equilibrium Geometries

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Tautomers of cytosine and their excited electronic states: a matrix isolation spectroscopic and quantum chemical study

Physical Chemistry Chemical Physics ◽

10.1039/c0cp02354j ◽

2011 ◽

Vol 13 (15) ◽

pp. 6799 ◽

Cited By ~ 62

Author(s):

Gábor Bazsó ◽

György Tarczay ◽

Géza Fogarasi ◽

Péter G. Szalay

Keyword(s):

Quantum Chemical ◽

Matrix Isolation ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study ◽

Excited Electronic States

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Quantum–chemical study of the structure of the acetyl fluoride molecule in the ground and lowest excited singlet and triplet electronic states

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2003.10.017 ◽

2004 ◽

Vol 60 (8-9) ◽

pp. 1995-2003 ◽

Cited By ~ 2

Author(s):

A.V Kudich ◽

V.A Bataev ◽

A.V Abramenkov ◽

I.A Godunov

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Electronic States ◽

Chemical Study ◽

Excited Singlet

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