XChem_v1

This dataset contains the first release of XChem code as registered at the Madrid Registry of Intelectual property (reg. num. 16/2022/2643). It includes the source code, installation instructions, manuals, tutorials and examples

Detalles Bibliográficos
Autores: González-Vázquez, Jesús, Marante, Carlos, Klinker, Markus, Borràs, Josep V., Corral, Inés, Argenti, Luca, Martín, Fernando
Tipo de recurso: conjunto de datos
Estado:Versión publicada
Fecha de publicación:2023
País:España
Institución:Consorcio Madroño
Repositorio:e-cienciaDatos, Repositorio de Datos del Consorcio Madroño
OAI Identifier:doi:10.21950/GHWTML
Acceso en línea:https://doi.org/10.21950/GHWTML
Access Level:acceso abierto
Palabra clave:Chemistry
computational package
chemical reactivity
molecular autoionization
reactivity of molecules
molecular photoionization
attosecond science
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oai_identifier_str doi:10.21950/GHWTML
network_acronym_str ES
network_name_str España
repository_id_str
spelling XChem_v1González-Vázquez, JesúsMarante, CarlosKlinker, MarkusBorràs, Josep V.Corral, InésArgenti, LucaMartín, FernandoChemistrycomputational packagechemical reactivitymolecular autoionizationreactivity of moleculesmolecular photoionizationattosecond scienceThis dataset contains the first release of XChem code as registered at the Madrid Registry of Intelectual property (reg. num. 16/2022/2643). It includes the source code, installation instructions, manuals, tutorials and examplese-cienciaDatosGonzález Vázquez, Jesús2023info:eu-repo/semantics/datasetinfo:eu-repo/semantics/publishedVersiontext/plainapplication/ziphttps://doi.org/10.21950/GHWTMLreponame:e-cienciaDatos, Repositorio de Datos del Consorcio Madroñoinstname:Consorcio MadroñoInglésinfo:eu-repo/grantAgreement/FP7 Ideas: European Research Council/290853/info:eu-repo/grantAgreement/H2020 European Research Council/780284/info:eu-repo/grantAgreement/MICINN//FIS2016-77889-Rinfo:eu-repo/grantAgreement/MICINN//BES-2017-081521info:eu-repo/grantAgreement/AEI//PDC2021-121073-I00info:eu-repo/semantics/openAccessXChem software has been registered in the regional intellectual property register (reg. num. 16/2018/6823 and 16/2022/2643). XChem brand name and logo has been registered in Europe (request num. 018057414) and US (request num. 018057414_01). XChem is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License, v. 2.1 (https://www.gnu.org/licenses/license-list.html#LGPLv2.1)doi:10.21950/GHWTML2026-05-29T06:25:11Z
dc.title.none.fl_str_mv XChem_v1
title XChem_v1
spellingShingle XChem_v1
González-Vázquez, Jesús
Chemistry
computational package
chemical reactivity
molecular autoionization
reactivity of molecules
molecular photoionization
attosecond science
title_short XChem_v1
title_full XChem_v1
title_fullStr XChem_v1
title_full_unstemmed XChem_v1
title_sort XChem_v1
dc.creator.none.fl_str_mv González-Vázquez, Jesús
Marante, Carlos
Klinker, Markus
Borràs, Josep V.
Corral, Inés
Argenti, Luca
Martín, Fernando
author González-Vázquez, Jesús
author_facet González-Vázquez, Jesús
Marante, Carlos
Klinker, Markus
Borràs, Josep V.
Corral, Inés
Argenti, Luca
Martín, Fernando
author_role author
author2 Marante, Carlos
Klinker, Markus
Borràs, Josep V.
Corral, Inés
Argenti, Luca
Martín, Fernando
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv González Vázquez, Jesús
dc.subject.none.fl_str_mv Chemistry
computational package
chemical reactivity
molecular autoionization
reactivity of molecules
molecular photoionization
attosecond science
topic Chemistry
computational package
chemical reactivity
molecular autoionization
reactivity of molecules
molecular photoionization
attosecond science
description This dataset contains the first release of XChem code as registered at the Madrid Registry of Intelectual property (reg. num. 16/2022/2643). It includes the source code, installation instructions, manuals, tutorials and examples
publishDate 2023
dc.date.none.fl_str_mv 2023
dc.type.none.fl_str_mv info:eu-repo/semantics/dataset
info:eu-repo/semantics/publishedVersion
format dataset
status_str publishedVersion
dc.identifier.none.fl_str_mv https://doi.org/10.21950/GHWTML
url https://doi.org/10.21950/GHWTML
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv info:eu-repo/grantAgreement/FP7 Ideas: European Research Council/290853/
info:eu-repo/grantAgreement/H2020 European Research Council/780284/
info:eu-repo/grantAgreement/MICINN//FIS2016-77889-R
info:eu-repo/grantAgreement/MICINN//BES-2017-081521
info:eu-repo/grantAgreement/AEI//PDC2021-121073-I00
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/plain
application/zip
dc.publisher.none.fl_str_mv e-cienciaDatos
publisher.none.fl_str_mv e-cienciaDatos
dc.source.none.fl_str_mv reponame:e-cienciaDatos, Repositorio de Datos del Consorcio Madroño
instname:Consorcio Madroño
instname_str Consorcio Madroño
reponame_str e-cienciaDatos, Repositorio de Datos del Consorcio Madroño
collection e-cienciaDatos, Repositorio de Datos del Consorcio Madroño
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,300719

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