An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties

Autores
Poeylaut Palena, Andrés Alberto; Mendez, Luciana; Laborde, María de Los Angeles
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In an increasingly digital world, computing technology plays a key role in the understanding, teaching and development of science disciplines. Modern molecular modeling involves the use of computers that can calculate physical properties of molecules and manipulate images in three dimensions. In this study, we present a learning module for the understanding of molecular modeling essentials. It is an introductory exercise for students who are not familiar with the field of computational chemistry and which can be delivered by professors who are not necessarily experts in such field. This classroom exercise is designed to be carried out following detailed instructions that make software handling straightforward. Students will be able to understand issues related to molecular model building and energy minimization. In addition, this learning module not only deals with molecular modeling but also helps students improve the learning processes of basic concepts such as resonance structures or conformational energy of structures with different dihedral angles. This is accomplishedby providing new and modern alternatives for knowledge acquisition and result assessment.
Fil: Poeylaut Palena, Andrés Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
Fil: Mendez, Luciana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
Fil: Laborde, María de Los Angeles. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
Materia
Clasroom
Molecular
Model
Energy
Minimization
Nmr Spectroscopy
Laboratories And Demonstrations
Organic Chemistry
Hplc-Ms
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/53511
Acceder
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spelling An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and DifficultiesPoeylaut Palena, Andrés AlbertoMendez, LucianaLaborde, María de Los AngelesClasroomMolecularModelEnergyMinimizationNmr SpectroscopyLaboratories And DemonstrationsOrganic ChemistryHplc-Mshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In an increasingly digital world, computing technology plays a key role in the understanding, teaching and development of science disciplines. Modern molecular modeling involves the use of computers that can calculate physical properties of molecules and manipulate images in three dimensions. In this study, we present a learning module for the understanding of molecular modeling essentials. It is an introductory exercise for students who are not familiar with the field of computational chemistry and which can be delivered by professors who are not necessarily experts in such field. This classroom exercise is designed to be carried out following detailed instructions that make software handling straightforward. Students will be able to understand issues related to molecular model building and energy minimization. In addition, this learning module not only deals with molecular modeling but also helps students improve the learning processes of basic concepts such as resonance structures or conformational energy of structures with different dihedral angles. This is accomplishedby providing new and modern alternatives for knowledge acquisition and result assessment.Fil: Poeylaut Palena, Andrés Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; ArgentinaFil: Mendez, Luciana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; ArgentinaFil: Laborde, María de Los Angeles. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; ArgentinaChemical Educator2015-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/53511Poeylaut Palena, Andrés Alberto; Mendez, Luciana; Laborde, María de Los Angeles; An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties; Chemical Educator; The Chemical Educator; 20; 11-2015; 327-3311430-4171CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://chemeducator.org/bibs/0020001/20150327.htmlinfo:eu-repo/semantics/altIdentifier/doi/10.1333/s00897152666ainfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-08-25T14:53:54Zoai:ri.conicet.gov.ar:11336/53511instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982026-08-25 14:53:55.272CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties
title An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties
spellingShingle An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties
Poeylaut Palena, Andrés Alberto
Clasroom
Molecular
Model
Energy
Minimization
Nmr Spectroscopy
Laboratories And Demonstrations
Organic Chemistry
Hplc-Ms
title_short An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties
title_full An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties
title_fullStr An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties
title_full_unstemmed An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties
title_sort An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties
dc.creator.none.fl_str_mv Poeylaut Palena, Andrés Alberto
Mendez, Luciana
Laborde, María de Los Angeles
author Poeylaut Palena, Andrés Alberto
author_facet Poeylaut Palena, Andrés Alberto
Mendez, Luciana
Laborde, María de Los Angeles
author_role author
author2 Mendez, Luciana
Laborde, María de Los Angeles
author2_role author
author
dc.subject.none.fl_str_mv Clasroom
Molecular
Model
Energy
Minimization
Nmr Spectroscopy
Laboratories And Demonstrations
Organic Chemistry
Hplc-Ms
topic Clasroom
Molecular
Model
Energy
Minimization
Nmr Spectroscopy
Laboratories And Demonstrations
Organic Chemistry
Hplc-Ms
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In an increasingly digital world, computing technology plays a key role in the understanding, teaching and development of science disciplines. Modern molecular modeling involves the use of computers that can calculate physical properties of molecules and manipulate images in three dimensions. In this study, we present a learning module for the understanding of molecular modeling essentials. It is an introductory exercise for students who are not familiar with the field of computational chemistry and which can be delivered by professors who are not necessarily experts in such field. This classroom exercise is designed to be carried out following detailed instructions that make software handling straightforward. Students will be able to understand issues related to molecular model building and energy minimization. In addition, this learning module not only deals with molecular modeling but also helps students improve the learning processes of basic concepts such as resonance structures or conformational energy of structures with different dihedral angles. This is accomplishedby providing new and modern alternatives for knowledge acquisition and result assessment.
Fil: Poeylaut Palena, Andrés Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
Fil: Mendez, Luciana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
Fil: Laborde, María de Los Angeles. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
description In an increasingly digital world, computing technology plays a key role in the understanding, teaching and development of science disciplines. Modern molecular modeling involves the use of computers that can calculate physical properties of molecules and manipulate images in three dimensions. In this study, we present a learning module for the understanding of molecular modeling essentials. It is an introductory exercise for students who are not familiar with the field of computational chemistry and which can be delivered by professors who are not necessarily experts in such field. This classroom exercise is designed to be carried out following detailed instructions that make software handling straightforward. Students will be able to understand issues related to molecular model building and energy minimization. In addition, this learning module not only deals with molecular modeling but also helps students improve the learning processes of basic concepts such as resonance structures or conformational energy of structures with different dihedral angles. This is accomplishedby providing new and modern alternatives for knowledge acquisition and result assessment.
publishDate 2015
dc.date.none.fl_str_mv 2015-11
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/11336/53511
Poeylaut Palena, Andrés Alberto; Mendez, Luciana; Laborde, María de Los Angeles; An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties; Chemical Educator; The Chemical Educator; 20; 11-2015; 327-331
1430-4171
CONICET Digital
CONICET
url http://hdl.handle.net/11336/53511
identifier_str_mv Poeylaut Palena, Andrés Alberto; Mendez, Luciana; Laborde, María de Los Angeles; An Introductory Classroom Exercise on Molecular Model Building and Energy Minimization: Students’ Approaches and Difficulties; Chemical Educator; The Chemical Educator; 20; 11-2015; 327-331
1430-4171
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://chemeducator.org/bibs/0020001/20150327.html
info:eu-repo/semantics/altIdentifier/doi/10.1333/s00897152666a
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Chemical Educator
publisher.none.fl_str_mv Chemical Educator
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.334379

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