Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculations

Autores
Stortz, Carlos A.; Sarotti, Ariel Marcelo
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Fil: Fil: Stortz, Carlos A. Universidad de Buenos Aires. Facultad de Ciencias Exactas. Departamento de Química Orgánica. Centro de Investigaciones en Hidratos de Carbono (CIHIDECAR); Argentina.
Fil: Fil: Sarotti, Ariel Marcelo. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR -CONICET); Argentina.
Materia
DFT Calculations
Density Functional Theory Calculations
MP2 Calculations
Møller–Plesset Perturbation Theory (MP)
Substituents
Nivel de accesibilidad
acceso abierto
Condiciones de uso
Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
Repositorio
RepHipUNR (UNR)
Institución
Universidad Nacional de Rosario
OAI Identificador
oai:rephip.unr.edu.ar:2133/19544
Acceder
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network_name_str RepHipUNR (UNR)
spelling Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculationsStortz, Carlos A.Sarotti, Ariel MarceloDFT CalculationsDensity Functional Theory CalculationsMP2 CalculationsMøller–Plesset Perturbation Theory (MP)SubstituentsFil: Fil: Stortz, Carlos A. Universidad de Buenos Aires. Facultad de Ciencias Exactas. Departamento de Química Orgánica. Centro de Investigaciones en Hidratos de Carbono (CIHIDECAR); Argentina.Fil: Fil: Sarotti, Ariel Marcelo. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR -CONICET); Argentina.Royal Society of Chemistry2019-08-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://hdl.handle.net/2133/19544urn:issn: 2046-2069enghttps://doi.org/10.1039/c9ra03524ahttps://pubs.rsc.org/en/content/articlelanding/2019/RA/C9RA03524A#!divAbstractinfo:eu-repo/semantics/openAccessAttribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)https://creativecommons.org/licenses/by-nc/3.0/Licencia RepHipreponame:RepHipUNR (UNR)instname:Universidad Nacional de Rosario2025-09-04T09:44:29Zoai:rephip.unr.edu.ar:2133/19544instacron:UNRInstitucionalhttps://rephip.unr.edu.ar/Universidad públicaNo correspondehttps://rephip.unr.edu.ar/oai/requestrephip@unr.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:15502025-09-04 09:44:30.587RepHipUNR (UNR) - Universidad Nacional de Rosariofalse
dc.title.none.fl_str_mv Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculations
title Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculations
spellingShingle Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculations
Stortz, Carlos A.
DFT Calculations
Density Functional Theory Calculations
MP2 Calculations
Møller–Plesset Perturbation Theory (MP)
Substituents
title_short Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculations
title_full Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculations
title_fullStr Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculations
title_full_unstemmed Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculations
title_sort Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculations
dc.creator.none.fl_str_mv Stortz, Carlos A.
Sarotti, Ariel Marcelo
author Stortz, Carlos A.
author_facet Stortz, Carlos A.
Sarotti, Ariel Marcelo
author_role author
author2 Sarotti, Ariel Marcelo
author2_role author
dc.subject.none.fl_str_mv DFT Calculations
Density Functional Theory Calculations
MP2 Calculations
Møller–Plesset Perturbation Theory (MP)
Substituents
topic DFT Calculations
Density Functional Theory Calculations
MP2 Calculations
Møller–Plesset Perturbation Theory (MP)
Substituents
dc.description.none.fl_txt_mv Fil: Fil: Stortz, Carlos A. Universidad de Buenos Aires. Facultad de Ciencias Exactas. Departamento de Química Orgánica. Centro de Investigaciones en Hidratos de Carbono (CIHIDECAR); Argentina.
Fil: Fil: Sarotti, Ariel Marcelo. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR -CONICET); Argentina.
description Fil: Fil: Stortz, Carlos A. Universidad de Buenos Aires. Facultad de Ciencias Exactas. Departamento de Química Orgánica. Centro de Investigaciones en Hidratos de Carbono (CIHIDECAR); Argentina.
publishDate 2019
dc.date.none.fl_str_mv 2019-08-05
dc.type.none.fl_str_mv info:eu-repo/semantics/article


info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/2133/19544
urn:issn: 2046-2069
url http://hdl.handle.net/2133/19544
identifier_str_mv urn:issn: 2046-2069
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv https://doi.org/10.1039/c9ra03524a
https://pubs.rsc.org/en/content/articlelanding/2019/RA/C9RA03524A#!divAbstract
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
https://creativecommons.org/licenses/by-nc/3.0/
Licencia RepHip
eu_rights_str_mv openAccess
rights_invalid_str_mv Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
https://creativecommons.org/licenses/by-nc/3.0/
Licencia RepHip
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:RepHipUNR (UNR)
instname:Universidad Nacional de Rosario
reponame_str RepHipUNR (UNR)
collection RepHipUNR (UNR)
instname_str Universidad Nacional de Rosario
repository.name.fl_str_mv RepHipUNR (UNR) - Universidad Nacional de Rosario
repository.mail.fl_str_mv rephip@unr.edu.ar
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score 12.623145

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