Assignment of electronic transitions by geometry optimization

P. C. Mishra; Karl Jug

doi:10.1007/bf02394733

Assignment of electronic transitions by geometry optimization

Theoretica Chimica Acta ◽

10.1007/bf02394733 ◽

1982 ◽

Vol 61 (6) ◽

pp. 559-579 ◽

Cited By ~ 36

Author(s):

P. C. Mishra ◽

Karl Jug

Keyword(s):

Geometry Optimization ◽

Electronic Transitions ◽

Assignment Of Electronic Transitions

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ChemInform Abstract: ASSIGNMENT OF ELECTRONIC TRANSITIONS BY GEOMETRY OPTIMIZATION

Chemischer Informationsdienst ◽

10.1002/chin.198251068 ◽

1982 ◽

Vol 13 (51) ◽

Author(s):

P. C. MISHRA ◽

K. JUG

Keyword(s):

Geometry Optimization ◽

Electronic Transitions ◽

Assignment Of Electronic Transitions

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Revised Structure for the Diphenylaminyl Radical: The Importance of Theory in the Assignment of Electronic Transitions in Ph2X•(X = CH, N) and PhY•(Y = CH2, NH, O)

The Journal of Physical Chemistry A ◽

10.1021/jp026279i ◽

2002 ◽

Vol 106 (48) ◽

pp. 11719-11725 ◽

Cited By ~ 19

Author(s):

Gino A. DiLabio ◽

Grzegorz Litwinienko ◽

Shuquiong Lin ◽

Derek A. Pratt ◽

K. U. Ingold

Keyword(s):

Electronic Transitions ◽

Assignment Of Electronic Transitions

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The molecular structure of allenes and ketenes VI [1] circular dichroism spectroscopy as a tool for the detection and assignment of electronic transitions in phenylallenecarboxylic acids

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19750790710 ◽

1975 ◽

Vol 79 (7) ◽

pp. 610-622 ◽

Cited By ~ 7

Author(s):

W. Runge ◽

J. Winkler

Keyword(s):

Molecular Structure ◽

Circular Dichroism ◽

Circular Dichroism Spectroscopy ◽

Electronic Transitions ◽

Circular Dichroïsm ◽

Assignment Of Electronic Transitions

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4- and 4,5-SubstitutedN-Methoxythiazole-2(3H)-thiones - Preparation,UV/Vis Spectra, and Assignment of Electronic Transitions in Comparison toN-Methoxypyridine-2(1H)-thione Using Time-Dependent Density Functional Theory Calculations

European Journal of Organic Chemistry ◽

10.1002/ejoc.200400674 ◽

2005 ◽

Vol 2005 (5) ◽

pp. 869-881 ◽

Cited By ~ 13

Author(s):

Jens Hartung ◽

Kristina ?pehar ◽

Ingrid Svoboda ◽

Hartmut Fuess ◽

Mario Arnone ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Electronic Transitions ◽

Functional Theory ◽

Assignment Of Electronic Transitions ◽

Dependent Density

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Assignment of Electronic Transitions in Azo Dye Prototypes

The Journal of Chemical Physics ◽

10.1063/1.1732574 ◽

1962 ◽

Vol 36 (3) ◽

pp. 580-588 ◽

Cited By ~ 98

Author(s):

Melvin B. Robin ◽

William T. Simpson

Keyword(s):

Azo Dye ◽

Electronic Transitions ◽

Assignment Of Electronic Transitions

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ChemInform Abstract: MOLECULAR STRUCTURE OF ALLENES AND KETENES PART 6, CIRCULAR DICHROISM SPECTROSCOPY AS A TOOL FOR THE DETECTION AND ASSIGNMENT OF ELECTRONIC TRANSITIONS IN PHENYLALLENECARBOXYLIC ACIDS

Chemischer Informationsdienst ◽

10.1002/chin.197540052 ◽

1975 ◽

Vol 6 (40) ◽

pp. no-no

Author(s):

W. RUNGE ◽

J. WINKLER

Keyword(s):

Molecular Structure ◽

Circular Dichroism ◽

Circular Dichroism Spectroscopy ◽

Electronic Transitions ◽

Circular Dichroïsm ◽

Assignment Of Electronic Transitions

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Assignment of electronic transitions in mixed-valence complexes by resonance Raman spectroscopy

Inorganic Chemistry ◽

10.1021/ic00041a002 ◽

1992 ◽

Vol 31 (15) ◽

pp. 3185-3186 ◽

Cited By ~ 12

Author(s):

Jon R. Schoonover ◽

Cliff J. Timpson ◽

Thomas J. Meyer ◽

Carlo A. Bignozzi

Keyword(s):

Raman Spectroscopy ◽

Resonance Raman Spectroscopy ◽

Mixed Valence ◽

Resonance Raman ◽

Electronic Transitions ◽

Assignment Of Electronic Transitions

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Assignment of Electronic Transitions and Electron−Phonon Coupling of Er3+Doped into Y2O3

The Journal of Physical Chemistry A ◽

10.1021/jp046217n ◽

2004 ◽

Vol 108 (52) ◽

pp. 11521-11525 ◽

Cited By ~ 18

Author(s):

Peter A. Tanner ◽

Xianju Zhou ◽

Fengyi Liu

Keyword(s):

Electronic Transitions ◽

Phonon Coupling ◽

Electron Phonon Coupling ◽

Assignment Of Electronic Transitions

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An excited state geometry optimization study of electronic transitions in guanine and adenine

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)80149-5 ◽

1994 ◽

Vol 305 ◽

pp. 139-148 ◽

Cited By ~ 14

Author(s):

P.C. Mishra ◽

Karl Jug

Keyword(s):

Excited State ◽

Geometry Optimization ◽

Electronic Transitions ◽

Optimization Study ◽

Guanine And Adenine ◽

Excited State Geometry Optimization

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Titanium Digermanium: Theoretical Assignment of Electronic Transitions Underlying Its Anion Photoelectron Spectrum

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.7b00245 ◽

2017 ◽

Vol 121 (9) ◽

pp. 1940-1949 ◽

Cited By ~ 10

Author(s):

Le Nhan Pham ◽

Minh Tho Nguyen

Keyword(s):

Photoelectron Spectrum ◽

Electronic Transitions ◽

Assignment Of Electronic Transitions

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