Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153 (872 views)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2007; 46(3): 405-408.
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Paper type: Journal Article,
Impact factor: 10.031, 5-year impact factor: 10.329
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-33846403719&partnerID=40&md5=646b599ea2ff42aaf5a22c78b5b74a0b
Keywords: Ab Initio Calculations, Computer Chemistry, Density Functional Calculations, Franck-Condon Factors, Uv Vis Spectroscopy, Franck Condon Factors, Spectral Shift, Absorption Spectroscopy, Light Modulation, Solutions, Solvents, Spectrum Analysis, Molecular Vibrations, Coumarin, Coumarin C153, Coumarin Derivative, Cyclohexane, Cyclohexane Derivative, Dimethyl Sulfoxide, Fused Heterocyclic Rings, Unclassified Drug, Article, Biology, Chemical Structure, Solution And Solubility, Computational Biology, Heterocyclic Compounds With 4 Or More Rings, Molecular Structure,
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angelo, via Cintia, 80126 Napoli, Italy
Istituto di Biostrutture e Bioimmagini - CNR, via Mezzocannone 16, 80134 Napoli, Italy
Istituto Per I Processi Chimico-Fisici - CNR, Area Della Ricerca del CNR, Via Moruzzi 1, 56124 Pisa, Italy
References:
Not available.
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2007; 46(3): 405-408.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 10.031, 5-year impact factor: 10.329
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-33846403719&partnerID=40&md5=646b599ea2ff42aaf5a22c78b5b74a0b
Keywords: Ab Initio Calculations, Computer Chemistry, Density Functional Calculations, Franck-Condon Factors, Uv Vis Spectroscopy, Franck Condon Factors, Spectral Shift, Absorption Spectroscopy, Light Modulation, Solutions, Solvents, Spectrum Analysis, Molecular Vibrations, Coumarin, Coumarin C153, Coumarin Derivative, Cyclohexane, Cyclohexane Derivative, Dimethyl Sulfoxide, Fused Heterocyclic Rings, Unclassified Drug, Article, Biology, Chemical Structure, Solution And Solubility, Computational Biology, Heterocyclic Compounds With 4 Or More Rings, Molecular Structure,
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angelo, via Cintia, 80126 Napoli, Italy
Istituto di Biostrutture e Bioimmagini - CNR, via Mezzocannone 16, 80134 Napoli, Italy
Istituto Per I Processi Chimico-Fisici - CNR, Area Della Ricerca del CNR, Via Moruzzi 1, 56124 Pisa, Italy
References:
Not available.
Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153
Shapes changed by solvent: An ab initio method for calculating the absorption spectra of large molecules including solvent effects and molecular vibrations shows how the solvent can shift the spectra and modulate their shapes (see picture; black lines: stick representation of absorption spectrum). The computed spectra of coumarin C153 in various solvents agree with the experimental ones. (Figure Presented). © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.
Shapes changed by solvent: An ab initio method for calculating the absorption spectra of large molecules including solvent effects and molecular vibrations shows how the solvent can shift the spectra and modulate their shapes (see picture; black lines: stick representation of absorption spectrum). The computed spectra of coumarin C153 in various solvents agree with the experimental ones. (Figure Presented). © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.
Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153
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Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153
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11 Records (11 excluding Abstracts).
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Total 5 year impact factor: 76.076 (76.076 excluding Abstracts).
Total impact factor: 70.059 (70.059 excluding Abstracts).
Total 5 year impact factor: 76.076 (76.076 excluding Abstracts).
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