Orbitale moléculaire localisée (French Wikipedia)

Analysis of information sources in references of the Wikipedia article "Orbitale moléculaire localisée" in French language version.

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16doi.org

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8nih.gov

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6harvard.edu

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1archive.org

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1au.dk

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1arxiv.org

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archive.org

Frank Jensen, Introduction to Computational Chemistry, Chichester, England, John Wiley and Sons, 2007, 304–308 (ISBN 978-0-470-01187-4, lire en ligne)

arxiv.org

Knizia, « Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts », Journal of Chemical Theory and Computation, vol. 9, n^o 11,‎ 2013, p. 4834–4843 (PMID 26583402, DOI 10.1021/ct400687b, Bibcode 2013arXiv1306.6884K, arXiv 1306.6884)

au.dk

pure.au.dk

Høyvik, Jansik et Jørgensen, « Orbital localization using fourth central moment minimization », Journal of Chemical Physics, vol. 137, n^o 22,‎ 2012, p. 244114 (PMID 23248994, DOI 10.1063/1.4769866, Bibcode 2012JChPh.137v4114H, lire en ligne)

doi.org

dx.doi.org

Hirst et Linington, « Localized orbitals for the oxygen and nitric oxide molecules », Theoretica Chimica Acta, vol. 16, n^o 1,‎ 1970, p. 55–62 (DOI 10.1007/BF01045967)
Duke, « Linnett's double quartet theory and localised orbitals », Journal of Molecular Structure: THEOCHEM, vol. 152, n^os 3–4,‎ 1987, p. 319–330 (DOI 10.1016/0166-1280(87)80072-6)
Edmiston et Ruedenberg, « Localized Atomic and Molecular Orbitals », Reviews of Modern Physics, vol. 35, n^o 3,‎ 1963, p. 457–465 (DOI 10.1103/RevModPhys.35.457, Bibcode 1963RvMP...35..457E)
Lehtola et Jónsson, « Unitary Optimization of Localized Molecular Orbitals », Journal of Chemical Theory and Computation, vol. 9, n^o 12,‎ 2013, p. 5365–5372 (PMID 26592274, DOI 10.1021/ct400793q)
Leonard et Luken, « Quadratically Convergent Calculation of Localized Molecular Orbitals », Theoretica Chimica Acta, vol. 62, n^o 2,‎ 1982, p. 107–132 (DOI 10.1007/BF00581477)
Høyvik, Jansik et Jørgensen, « Trust Region Minimization of Orbital Localization Functions », Journal of Chemical Theory and Computation, vol. 8, n^o 9,‎ 2012, p. 3137–3146 (PMID 26605725, DOI 10.1021/ct300473g)
Boys, « Construction of Molecular orbitals to be minimally variant for changes from one molecule to another », Reviews of Modern Physics, vol. 32, n^o 2,‎ 1960, p. 296–299 (DOI 10.1103/RevModPhys.32.300, Bibcode 1960RvMP...32..296B)
Kleier et J. Chem. Phys. 61, 3905 (1974), « Localized molecular orbitals for polyatomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods », The Journal of Chemical Physics, Journal of Chemical Physics, vol. 61, n^o 10,‎ 1974, p. 3905–3919 (DOI 10.1063/1.1681683, Bibcode 1974JChPh..61.3905K)
Høyvik, Jansik et Jørgensen, « Orbital localization using fourth central moment minimization », Journal of Chemical Physics, vol. 137, n^o 22,‎ 2012, p. 244114 (PMID 23248994, DOI 10.1063/1.4769866, Bibcode 2012JChPh.137v4114H, lire en ligne)
Pipek et Mezey, « A fast intrinsic localization procedure applicable for ab initio and semiempirical linear combination of atomic orbital wave functions », The Journal of Chemical Physics, vol. 90, n^o 9,‎ 1989, p. 4916 (DOI 10.1063/1.456588, Bibcode 1989JChPh..90.4916P)
Lehtola et Jónsson, « Pipek–Mezey orbital localization using various partial charge estimates », Journal of Chemical Theory and Computation, vol. 10, n^o 2,‎ 8 janvier 2014, p. 642–649 (PMID 26580041, DOI 10.1021/ct401016x)
Knizia, « Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts », Journal of Chemical Theory and Computation, vol. 9, n^o 11,‎ 2013, p. 4834–4843 (PMID 26583402, DOI 10.1021/ct400687b, Bibcode 2013arXiv1306.6884K, arXiv 1306.6884)
Cioslowski, « Partitioning of the orbital overlap matrix and the localization criteria », Journal of Mathematical Chemistry, vol. 8, n^o 1,‎ 1991, p. 169–178 (DOI 10.1007/BF01166933)
Alcoba, Lain, Torre et Bochicchio, « An orbital localization criterion based on the theory of "fuzzy" atoms », Journal of Computational Chemistry, vol. 27, n^o 5,‎ 15 avril 2006, p. 596–608 (PMID 16470667, DOI 10.1002/jcc.20373)
Høyvik, Jansik et Jørgensen, « Pipek–Mezey localization of occupied and virtual orbitals », Journal of Computational Chemistry, vol. 34, n^o 17,‎ 3 avril 2013, p. 1456–1462 (PMID 23553349, DOI 10.1002/jcc.23281)
Heßelmann, « Local Molecular Orbitals from a Projection onto Localized Centers », Journal of Chemical Theory and Computation, vol. 12, n^o 6,‎ 10 mai 2016, p. 2720–2741 (PMID 27164445, DOI 10.1021/acs.jctc.6b00321)

harvard.edu

ui.adsabs.harvard.edu

Edmiston et Ruedenberg, « Localized Atomic and Molecular Orbitals », Reviews of Modern Physics, vol. 35, n^o 3,‎ 1963, p. 457–465 (DOI 10.1103/RevModPhys.35.457, Bibcode 1963RvMP...35..457E)
Boys, « Construction of Molecular orbitals to be minimally variant for changes from one molecule to another », Reviews of Modern Physics, vol. 32, n^o 2,‎ 1960, p. 296–299 (DOI 10.1103/RevModPhys.32.300, Bibcode 1960RvMP...32..296B)
Kleier et J. Chem. Phys. 61, 3905 (1974), « Localized molecular orbitals for polyatomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods », The Journal of Chemical Physics, Journal of Chemical Physics, vol. 61, n^o 10,‎ 1974, p. 3905–3919 (DOI 10.1063/1.1681683, Bibcode 1974JChPh..61.3905K)
Høyvik, Jansik et Jørgensen, « Orbital localization using fourth central moment minimization », Journal of Chemical Physics, vol. 137, n^o 22,‎ 2012, p. 244114 (PMID 23248994, DOI 10.1063/1.4769866, Bibcode 2012JChPh.137v4114H, lire en ligne)
Pipek et Mezey, « A fast intrinsic localization procedure applicable for ab initio and semiempirical linear combination of atomic orbital wave functions », The Journal of Chemical Physics, vol. 90, n^o 9,‎ 1989, p. 4916 (DOI 10.1063/1.456588, Bibcode 1989JChPh..90.4916P)
Knizia, « Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts », Journal of Chemical Theory and Computation, vol. 9, n^o 11,‎ 2013, p. 4834–4843 (PMID 26583402, DOI 10.1021/ct400687b, Bibcode 2013arXiv1306.6884K, arXiv 1306.6884)

nih.gov

ncbi.nlm.nih.gov

Lehtola et Jónsson, « Unitary Optimization of Localized Molecular Orbitals », Journal of Chemical Theory and Computation, vol. 9, n^o 12,‎ 2013, p. 5365–5372 (PMID 26592274, DOI 10.1021/ct400793q)
Høyvik, Jansik et Jørgensen, « Trust Region Minimization of Orbital Localization Functions », Journal of Chemical Theory and Computation, vol. 8, n^o 9,‎ 2012, p. 3137–3146 (PMID 26605725, DOI 10.1021/ct300473g)
Høyvik, Jansik et Jørgensen, « Orbital localization using fourth central moment minimization », Journal of Chemical Physics, vol. 137, n^o 22,‎ 2012, p. 244114 (PMID 23248994, DOI 10.1063/1.4769866, Bibcode 2012JChPh.137v4114H, lire en ligne)
Lehtola et Jónsson, « Pipek–Mezey orbital localization using various partial charge estimates », Journal of Chemical Theory and Computation, vol. 10, n^o 2,‎ 8 janvier 2014, p. 642–649 (PMID 26580041, DOI 10.1021/ct401016x)
Knizia, « Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts », Journal of Chemical Theory and Computation, vol. 9, n^o 11,‎ 2013, p. 4834–4843 (PMID 26583402, DOI 10.1021/ct400687b, Bibcode 2013arXiv1306.6884K, arXiv 1306.6884)
Alcoba, Lain, Torre et Bochicchio, « An orbital localization criterion based on the theory of "fuzzy" atoms », Journal of Computational Chemistry, vol. 27, n^o 5,‎ 15 avril 2006, p. 596–608 (PMID 16470667, DOI 10.1002/jcc.20373)
Høyvik, Jansik et Jørgensen, « Pipek–Mezey localization of occupied and virtual orbitals », Journal of Computational Chemistry, vol. 34, n^o 17,‎ 3 avril 2013, p. 1456–1462 (PMID 23553349, DOI 10.1002/jcc.23281)
Heßelmann, « Local Molecular Orbitals from a Projection onto Localized Centers », Journal of Chemical Theory and Computation, vol. 12, n^o 6,‎ 10 mai 2016, p. 2720–2741 (PMID 27164445, DOI 10.1021/acs.jctc.6b00321)