Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153

Roberto Improta; Vincenzo Barone; Fabrizio Santoro

doi:10.1002/ange.200602907

Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153

Angewandte Chemie ◽

10.1002/ange.200602907 ◽

2007 ◽

Vol 119 (3) ◽

pp. 409-412 ◽

Cited By ~ 18

Author(s):

Roberto Improta ◽

Vincenzo Barone ◽

Fabrizio Santoro

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Absorption Spectra ◽

Large Molecules

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Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153

Angewandte Chemie International Edition ◽

10.1002/anie.200602907 ◽

2007 ◽

Vol 46 (3) ◽

pp. 405-408 ◽

Cited By ~ 132

Author(s):

Roberto Improta ◽

Vincenzo Barone ◽

Fabrizio Santoro

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Absorption Spectra ◽

Large Molecules

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Small gaussian basis sets for AB initio calculations on large molecules

Chemical Physics Letters ◽

10.1016/0009-2614(79)80477-7 ◽

1979 ◽

Vol 63 (1) ◽

pp. 145-150 ◽

Cited By ~ 23

Author(s):

E.L. Mehler ◽

C.H. Paul

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Basis Sets ◽

Gaussian Basis Sets ◽

Large Molecules

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ChemInform Abstract: AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS, POLYPEPTIDES OF GLYCINE

Chemischer Informationsdienst ◽

10.1002/chin.197337089 ◽

1973 ◽

Vol 4 (37) ◽

pp. no-no

Author(s):

LESTER L. SHIPMAN ◽

RALPH E. CHRISTOFFERSEN

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Fragments ◽

Large Molecules

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Improved FSGO basis functions for ab initio calculations on large molecules

Chemical Physics Letters ◽

10.1016/0009-2614(73)80331-8 ◽

1973 ◽

Vol 18 (1) ◽

pp. 31-36 ◽

Cited By ~ 2

Author(s):

B.V. Cheney

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Basis Functions ◽

Large Molecules

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Ab Initio Calculations on Large Molecules Using Molecular Fragments. Hydrocarbon Characterizations

The Journal of Chemical Physics ◽

10.1063/1.1674599 ◽

1971 ◽

Vol 54 (1) ◽

pp. 239-252 ◽

Cited By ~ 54

Author(s):

Ralph E. Christoffersen ◽

Donald W. Genson ◽

Gerald M. Maggiora

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Fragments ◽

Large Molecules

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Symposium note: More new desirable computational strategies for ab initio calculations on large molecules, clusters, solids, and crystals

International Journal of Quantum Chemistry ◽

10.1002/qua.560310118 ◽

1987 ◽

Vol 31 (1) ◽

pp. 179-184 ◽

Cited By ~ 9

Author(s):

Joyce J. Kaufman

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Large Molecules

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ChemInform Abstract: AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS, LINCOMYCIN MODEL STUDIES

Chemischer Informationsdienst ◽

10.1002/chin.197440447 ◽

1974 ◽

Vol 5 (40) ◽

pp. no-no

Author(s):

L. L. SHIPMAN ◽

R. E. CHRISTOFFERSEN ◽

B. V. CHENEY

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Fragments ◽

Large Molecules ◽

Model Studies

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Absorption spectra, ligand field parameters and g factors of Cr3+ doped α-Al2O3 laser crystal: ab initio calculations

Physica Scripta ◽

10.1088/1402-4896/ab60fc ◽

2020 ◽

Vol 95 (4) ◽

pp. 044005

Author(s):

Emiliana-Laura Andreici Eftimie ◽

Nicolae M Avram

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Absorption Spectra ◽

Laser Crystal ◽

Ligand Field ◽

Α Al2o3 ◽

Ligand Field Parameters ◽

G Factors

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ChemInform Abstract: AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS, UNRESTRICTED HARTREE-FOCK CALCULATIONS ON THE LOW-LYING STATES OF FORMALDEHYDE AND ITS RADICAL IONS

Chemischer Informationsdienst ◽

10.1002/chin.197511095 ◽

1975 ◽

Vol 6 (11) ◽

pp. no-no

Author(s):

TIMOTHY D. DAVIS ◽

GERALD M. MAGGIORA ◽

RALPH E. CHRISTOFFERSEN

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Radical Ions ◽

Molecular Fragments ◽

Large Molecules ◽

Hartree Fock

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Research of electronic absorption spectra of benzazols derivatives by ab initio calculations

International Journal of Quantum Chemistry ◽

10.1002/qua.21819 ◽

2008 ◽

Vol 108 (14) ◽

pp. 2700-2710 ◽

Cited By ~ 12

Author(s):

I. S. Irgibaeva ◽

D. A. Birimzhanova ◽

N. N. Barashkov

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Absorption Spectra ◽

Electronic Absorption ◽

Electronic Absorption Spectra

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