About: Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates

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scientific article published on 14 September 2016

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована у вересні 2016 (uk) im September 2016 veröffentlichter wissenschaftlicher Artikel (de) scientific article published on 14 September 2016 (en) artículu científicu espublizáu en setiembre de 2016 (ast)
publication date	wds:Q62567887-D965CFC2-3B1E-452F-A4CE-79FD3568EF24
publication date	2016-09-14 00:00:00Z (xsd:dateTime)
author name string	wds:Q62567887-81E41D0B-F5E0-43DA-97A8-FBAE2C8D2198 wds:Q62567887-C6408B67-F6C3-4B08-BB5E-39F8D24A9AC4
author name string	Fabrizio Santoro Javier Cerezo
rdfs:label	Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates (en) Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates (nl)
skos:prefLabel	Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates (en) Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates (nl)
name	Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates (en) Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates (nl)
author	wds:Q62567887-401E657E-9F4D-43DE-92A7-8D73E2A6BEF4 wds:Q62567887-F624DBD8-FF01-44AA-A067-D43A3BDCAA08
author	Fabrizio Santoro Javier Cerezo
title	wds:Q62567887-56C2A66F-1186-472F-843E-BDA02A019361
title	Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates (en)
page(s)	wds:Q62567887-18B6718D-1C7E-488E-B34F-73208208276E
page(s)	4970-4985
instance of	wds:Q62567887-86DDBB80-F8D0-4A9F-B025-028D4C9E9095
instance of	scholarly article
PubMed ID	wds:Q62567887-CE935C06-FFCD-4F17-AEEF-0DF68832F07F
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/27586086
PubMed ID	27586086
published in	wds:Q62567887-7714D071-786A-4E03-9540-FA3481FC6BC2
published in	Journal of Chemical Theory and Computation
issue	wds:Q62567887-C45D39A8-8D99-4859-97D4-12E3AF2CC45C
volume	wds:Q62567887-C72B1AD7-3B7D-429C-AC43-96066E81619E
issue	10
volume	12
DOI	wds:Q62567887-C2A09A9D-1310-4E1A-B2F1-09643EDF2B14
DOI	http://dx.doi.org/10.1021/ACS.JCTC.6B00442
DOI	10.1021/ACS.JCTC.6B00442
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q62567887
is cites work of	How and How Much Molecular Conformation Affects Electronic Circular Dichroism: The Case of 1,1-Diarylcarbinols. High-Resolution Absorption and Electronic Circular Dichroism Spectra of (R)-(+)-1-Phenylethanol. Confident Interpretation Based on the Synergy between Experiments and Computations. Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol The role of chlorine position in the electronic circular dichroism of chlorophenyl-ethanol investigated by vibronic calculations
is cites work of	wds:Q48284456-CE4D9702-4391-4D2B-B141-258B31D45363 wds:Q49848612-191648D8-F185-4C9E-81F0-05509B48B18C wds:Q62567880-9B0CD9BB-44ED-4FD0-8CF7-62B274CE995D wds:Q95642872-7DC16203-97AD-433A-AF28-F82AFD438A24

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