Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Theoretical chemistry accounts 2016-03, Vol.135 (3), Article 57
Hauptverfasser: Marazzi, Marco, Gattuso, Hugo, Monari, Antonio
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page
container_issue 3
container_start_page
container_title Theoretical chemistry accounts
container_volume 135
creator Marazzi, Marco
Gattuso, Hugo
Monari, Antonio
description
doi_str_mv 10.1007/s00214-016-1814-z
format Article
fullrecord <record><control><sourceid>hal_cross</sourceid><recordid>TN_cdi_hal_primary_oai_HAL_hal_02185737v1</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>oai_HAL_hal_02185737v1</sourcerecordid><originalsourceid>FETCH-LOGICAL-c260t-3109a114b45496b8de0509afb1d5c74af20f2fa8883f0c942153fa20beee15683</originalsourceid><addsrcrecordid>eNo9kM1OwzAQhC0EEqXwANx85WDw2k7icqta2iJVgESQuFlOslaD0iaKTaX26XF_xGlnZ2f28BFyD_wROM-ePOcCFOOQMtBR7C_IAJQUTAipLs9aa_i-Jjfe__AYF0k2IOGtbpAWzS9Su6noceuxom0X6tI2tOvbDvtQo48Sq7oM8VjsaD5l01l-7EzGnx-5oGsMq7byz9QHG7vHU7Xb2HXUvm22uAkUncMy-Fty5Wzj8e48h-Rr9pJPFmz5Pn-djJesFCkPTAIfWQBVqESN0kJXyJPouAKqpMyUdYI74azWWjpejpSARDoreIGIkKRaDsnD6e_KNqbr67Xtd6a1tVmMl-bgRWY6yWS2hZiFU7bsW-97dP8F4OaA2JwQm4jYHBCbvfwDB2RuSQ</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects</title><source>Springer Nature - Complete Springer Journals</source><creator>Marazzi, Marco ; Gattuso, Hugo ; Monari, Antonio</creator><creatorcontrib>Marazzi, Marco ; Gattuso, Hugo ; Monari, Antonio</creatorcontrib><identifier>ISSN: 1432-881X</identifier><identifier>EISSN: 1432-2234</identifier><identifier>DOI: 10.1007/s00214-016-1814-z</identifier><language>eng</language><publisher>Springer Verlag</publisher><subject>Chemical Sciences</subject><ispartof>Theoretical chemistry accounts, 2016-03, Vol.135 (3), Article 57</ispartof><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c260t-3109a114b45496b8de0509afb1d5c74af20f2fa8883f0c942153fa20beee15683</citedby><cites>FETCH-LOGICAL-c260t-3109a114b45496b8de0509afb1d5c74af20f2fa8883f0c942153fa20beee15683</cites><orcidid>0000-0001-9464-1463 ; 0000-0001-7158-7994</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,881,27901,27902</link.rule.ids><backlink>$$Uhttps://hal.science/hal-02185737$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Marazzi, Marco</creatorcontrib><creatorcontrib>Gattuso, Hugo</creatorcontrib><creatorcontrib>Monari, Antonio</creatorcontrib><title>Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects</title><title>Theoretical chemistry accounts</title><subject>Chemical Sciences</subject><issn>1432-881X</issn><issn>1432-2234</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNo9kM1OwzAQhC0EEqXwANx85WDw2k7icqta2iJVgESQuFlOslaD0iaKTaX26XF_xGlnZ2f28BFyD_wROM-ePOcCFOOQMtBR7C_IAJQUTAipLs9aa_i-Jjfe__AYF0k2IOGtbpAWzS9Su6noceuxom0X6tI2tOvbDvtQo48Sq7oM8VjsaD5l01l-7EzGnx-5oGsMq7byz9QHG7vHU7Xb2HXUvm22uAkUncMy-Fty5Wzj8e48h-Rr9pJPFmz5Pn-djJesFCkPTAIfWQBVqESN0kJXyJPouAKqpMyUdYI74azWWjpejpSARDoreIGIkKRaDsnD6e_KNqbr67Xtd6a1tVmMl-bgRWY6yWS2hZiFU7bsW-97dP8F4OaA2JwQm4jYHBCbvfwDB2RuSQ</recordid><startdate>20160301</startdate><enddate>20160301</enddate><creator>Marazzi, Marco</creator><creator>Gattuso, Hugo</creator><creator>Monari, Antonio</creator><general>Springer Verlag</general><scope>AAYXX</scope><scope>CITATION</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0001-9464-1463</orcidid><orcidid>https://orcid.org/0000-0001-7158-7994</orcidid></search><sort><creationdate>20160301</creationdate><title>Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects</title><author>Marazzi, Marco ; Gattuso, Hugo ; Monari, Antonio</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c260t-3109a114b45496b8de0509afb1d5c74af20f2fa8883f0c942153fa20beee15683</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Chemical Sciences</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Marazzi, Marco</creatorcontrib><creatorcontrib>Gattuso, Hugo</creatorcontrib><creatorcontrib>Monari, Antonio</creatorcontrib><collection>CrossRef</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Theoretical chemistry accounts</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Marazzi, Marco</au><au>Gattuso, Hugo</au><au>Monari, Antonio</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects</atitle><jtitle>Theoretical chemistry accounts</jtitle><date>2016-03-01</date><risdate>2016</risdate><volume>135</volume><issue>3</issue><artnum>57</artnum><issn>1432-881X</issn><eissn>1432-2234</eissn><pub>Springer Verlag</pub><doi>10.1007/s00214-016-1814-z</doi><orcidid>https://orcid.org/0000-0001-9464-1463</orcidid><orcidid>https://orcid.org/0000-0001-7158-7994</orcidid></addata></record>
fulltext fulltext
identifier ISSN: 1432-881X
ispartof Theoretical chemistry accounts, 2016-03, Vol.135 (3), Article 57
issn 1432-881X
1432-2234
language eng
recordid cdi_hal_primary_oai_HAL_hal_02185737v1
source Springer Nature - Complete Springer Journals
subjects Chemical Sciences
title Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-30T21%3A56%3A32IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-hal_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Nile%20blue%20and%20Nile%20red%20optical%20properties%20predicted%20by%20TD-DFT%20and%20CASPT2%20methods:%20static%20and%20dynamic%20solvent%20effects&rft.jtitle=Theoretical%20chemistry%20accounts&rft.au=Marazzi,%20Marco&rft.date=2016-03-01&rft.volume=135&rft.issue=3&rft.artnum=57&rft.issn=1432-881X&rft.eissn=1432-2234&rft_id=info:doi/10.1007/s00214-016-1814-z&rft_dat=%3Chal_cross%3Eoai_HAL_hal_02185737v1%3C/hal_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true