Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]

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A recent theoretical study published in this journal has proposed a new definition of the unpaired electron density in molecular systems. This comment attempts to clarify the difference between the concept reported there and that of 'effectively' unpaired electron density. © 2003 Elsevier...

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Detalles Bibliográficos
Autor principal: Bochicchio, Roberto Carlos
Publicado: 2003
Materias:
hydrogen
chemical analysis
chemical reaction
chemical structure
chemistry
density
electron
molecule
particulate matter
physics
review
theoretical study
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v380_n3-4_p486_Bochicchio
http://hdl.handle.net/20.500.12110/paper_00092614_v380_n3-4_p486_Bochicchio
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_00092614_v380_n3-4_p486_Bochicchio
record_format dspace
spelling paper:paper_00092614_v380_n3-4_p486_Bochicchio2023-06-08T14:33:46Z Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511] Bochicchio, Roberto Carlos hydrogen chemical analysis chemical reaction chemical structure chemistry density electron molecule particulate matter physics review theoretical study A recent theoretical study published in this journal has proposed a new definition of the unpaired electron density in molecular systems. This comment attempts to clarify the difference between the concept reported there and that of 'effectively' unpaired electron density. © 2003 Elsevier B.V. All rights reserved. Fil:Bochicchio, R.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2003 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v380_n3-4_p486_Bochicchio http://hdl.handle.net/20.500.12110/paper_00092614_v380_n3-4_p486_Bochicchio
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic hydrogen
chemical analysis
chemical reaction
chemical structure
chemistry
density
electron
molecule
particulate matter
physics
review
theoretical study
spellingShingle hydrogen
chemical analysis
chemical reaction
chemical structure
chemistry
density
electron
molecule
particulate matter
physics
review
theoretical study
Bochicchio, Roberto Carlos
Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]
topic_facet hydrogen
chemical analysis
chemical reaction
chemical structure
chemistry
density
electron
molecule
particulate matter
physics
review
theoretical study
description A recent theoretical study published in this journal has proposed a new definition of the unpaired electron density in molecular systems. This comment attempts to clarify the difference between the concept reported there and that of 'effectively' unpaired electron density. © 2003 Elsevier B.V. All rights reserved.
author Bochicchio, Roberto Carlos
author_facet Bochicchio, Roberto Carlos
author_sort Bochicchio, Roberto Carlos
title Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]
title_short Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]
title_full Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]
title_fullStr Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]
title_full_unstemmed Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]
title_sort comment on 'characterizing unpaired electrons from one-particle density matrix' [m. head-gordon, chem. phys. lett. 372 (2003) 508-511]
publishDate 2003
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v380_n3-4_p486_Bochicchio
http://hdl.handle.net/20.500.12110/paper_00092614_v380_n3-4_p486_Bochicchio
work_keys_str_mv AT bochicchiorobertocarlos commentoncharacterizingunpairedelectronsfromoneparticledensitymatrixmheadgordonchemphyslett3722003508511
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