A Molecular Mechanics Force Field for Conformational Analysis of Simple Acylchlorides, Carboxylic and Esters

Detalhes bibliográficos
Autor(a) principal: Teixeira-Dias, J. J. C.
Data de Publicação: 1986
Outros Autores: Fausto, Rui
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10316/15609
https://doi.org/10.1016/0022-2860(89)85068-9
Resumo: Abstract A molecular mechanics force field for conformational and vibrational studies on acyl chlorides, carboxylic acids and esters is developed. The resulting force field can also be applied to alkanes, alcohols and ethers. Chlorine atoms and alkyl groups are considered as α-substituents
id RCAP_4019c9d2377494333265e75f65405720
oai_identifier_str oai:estudogeral.uc.pt:10316/15609
network_acronym_str RCAP
network_name_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository_id_str 7160
spelling A Molecular Mechanics Force Field for Conformational Analysis of Simple Acylchlorides, Carboxylic and EstersAbstract A molecular mechanics force field for conformational and vibrational studies on acyl chlorides, carboxylic acids and esters is developed. The resulting force field can also be applied to alkanes, alcohols and ethers. Chlorine atoms and alkyl groups are considered as α-substituentsElsevier B.V.1986-05info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/15609http://hdl.handle.net/10316/15609https://doi.org/10.1016/0022-2860(89)85068-9engTeixeira-Dias, J. J. C.Fausto, Ruiinfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2021-11-03T12:25:48Zoai:estudogeral.uc.pt:10316/15609Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:43.137517Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv A Molecular Mechanics Force Field for Conformational Analysis of Simple Acylchlorides, Carboxylic and Esters
title A Molecular Mechanics Force Field for Conformational Analysis of Simple Acylchlorides, Carboxylic and Esters
spellingShingle A Molecular Mechanics Force Field for Conformational Analysis of Simple Acylchlorides, Carboxylic and Esters
Teixeira-Dias, J. J. C.
title_short A Molecular Mechanics Force Field for Conformational Analysis of Simple Acylchlorides, Carboxylic and Esters
title_full A Molecular Mechanics Force Field for Conformational Analysis of Simple Acylchlorides, Carboxylic and Esters
title_fullStr A Molecular Mechanics Force Field for Conformational Analysis of Simple Acylchlorides, Carboxylic and Esters
title_full_unstemmed A Molecular Mechanics Force Field for Conformational Analysis of Simple Acylchlorides, Carboxylic and Esters
title_sort A Molecular Mechanics Force Field for Conformational Analysis of Simple Acylchlorides, Carboxylic and Esters
author Teixeira-Dias, J. J. C.
author_facet Teixeira-Dias, J. J. C.
Fausto, Rui
author_role author
author2 Fausto, Rui
author2_role author
dc.contributor.author.fl_str_mv Teixeira-Dias, J. J. C.
Fausto, Rui
description Abstract A molecular mechanics force field for conformational and vibrational studies on acyl chlorides, carboxylic acids and esters is developed. The resulting force field can also be applied to alkanes, alcohols and ethers. Chlorine atoms and alkyl groups are considered as α-substituents
publishDate 1986
dc.date.none.fl_str_mv 1986-05
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10316/15609
http://hdl.handle.net/10316/15609
https://doi.org/10.1016/0022-2860(89)85068-9
url http://hdl.handle.net/10316/15609
https://doi.org/10.1016/0022-2860(89)85068-9
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier B.V.
publisher.none.fl_str_mv Elsevier B.V.
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv
_version_ 1799133907868712960

Registros relacionados