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1دورية أكاديمية
المؤلفون: Polack, E., Mikhalev, A., Dusson, Geneviève, Stamm, B., Lipparini, F.
المساهمون: Laboratoire de Mathématiques de Besançon (UMR 6623) (LMB), Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC), Center for Computational Engineering Science Aachen (CCSE), Rheinisch-Westfälische Technische Hochschule Aachen University (RWTH), Dipartimento di Chimica e Chimica Industriale, University of Pisa - Università di Pisa, ANR-15-IDEX-0003,BFC,ISITE " BFC(2015)
المصدر: ISSN: 0026-8976.
مصطلحات موضوعية: density guess, ab-initio molecular dynamics, geometry optimization, Self-consistent field, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
العلاقة: info:eu-repo/semantics/altIdentifier/arxiv/2003.11802; hal-02519271; https://hal.science/hal-02519271Test; https://hal.science/hal-02519271v3/documentTest; https://hal.science/hal-02519271v3/file/revised.pdfTest; ARXIV: 2003.11802
الإتاحة: https://doi.org/10.1080/00268976.2020.1779834Test
https://hal.science/hal-02519271Test
https://hal.science/hal-02519271v3/documentTest
https://hal.science/hal-02519271v3/file/revised.pdfTest -
2
المؤلفون: Polack, E., Mikhalev, A., Dusson, Geneviève, Stamm, B., Lipparini, F.
المساهمون: Laboratoire de Mathématiques de Besançon (UMR 6623) (LMB), Université de Franche-Comté (UFC)-Centre National de la Recherche Scientifique (CNRS), Center for Computational Engineering Science [Aachen] (CCSE), Rheinisch-Westfälische Technische Hochschule Aachen (RWTH), Dipartimento di Chimica e Chimica Industriale, University of Pisa - Università di Pisa
مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Self-consistent field, density guess, geometry optimization, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], ab-initio molecular dynamics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=od_______212::168ee7e17cc13ae0b51a2f139b2525c9Test
https://hal.archives-ouvertes.fr/hal-02519271v2/documentTest -
3
المؤلفون: Polack, E, Mikhalev, A, Dusson, Geneviève, Stamm, B, Lipparini, F
المساهمون: Laboratoire de Mathématiques de Besançon (UMR 6623) (LMB), Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Center for Computational Engineering Science [Aachen] (CCSE), Rheinisch-Westfälische Technische Hochschule Aachen (RWTH), Dipartimento di Chimica e Chimica Industriale, University of Pisa - Università di Pisa
مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Self-consistent field, density guess, geometry optimization, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], ab-initio molecular dynamics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=od_______212::2b3687ae43963e98e382826c6ead04f8Test
https://hal.archives-ouvertes.fr/hal-02519271Test -
4دورية أكاديمية
المؤلفون: Kratz, E. G., Lagardere, L., Lipparini, F., Piquemal, J.-P., Cisneros, G. A.
المساهمون: Wayne State University Detroit, Laboratoire de chimie théorique (LCT), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences du Calcul et des Données (ISCD), Université Pierre et Marie Curie - Paris 6 (UPMC), Laboratoire Jacques-Louis Lions (LJLL), Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), University of Texas at Austin Austin, ANR-11-IDEX-0004,SUPER,Sorbonne Universités à Paris pour l'Enseignement et la Recherche(2011)
المصدر: ISSN: 0192-8651.
مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
العلاقة: hal-01287204; https://hal.science/hal-01287204Test; PUBMEDCENTRAL: PMC4808410
