Artículo
Bochicchio, R.C.; Torre, A.; Lain, L.; Head-Gordon, M. "Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]" (2003) Chemical Physics Letters. 380(3-4):486-487
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Abstract:
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.
Registro:
| Documento: | Artículo |
| Título: | Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511] |
| Autor: | Bochicchio, R.C.; Torre, A.; Lain, L.; Head-Gordon, M. |
| Filiación: | Departamento de Física, Fac. de Ciencias Exactas y Naturales, Pab. 1 - Ciudad Universitaria, Buenos Aires 1428, Argentina Depto. de Quím. Física, Facultad de Ciencias, Universidad del País Vasco, Apdo. 644, Bilbao E-48080, Spain Department of Chemistry, University of California, Chemical Sciences Division, Berkeley, CA 94720-1460, United States |
| Palabras clave: | hydrogen; chemical analysis; chemical reaction; chemical structure; chemistry; density; electron; molecule; particulate matter; physics; review; theoretical study |
| Año: | 2003 |
| Volumen: | 380 |
| Número: | 3-4 |
| Página de inicio: | 486 |
| Página de fin: | 487 |
| DOI: | http://dx.doi.org/10.1016/j.cplett.2003.09.035 |
| Título revista: | Chemical Physics Letters |
| Título revista abreviado: | Chem. Phys. Lett. |
| ISSN: | 00092614 |
| CODEN: | CHPLB |
| CAS: | hydrogen, 12385-13-6, 1333-74-0 |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v380_n3-4_p486_Bochicchio |
Referencias:
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- Bochicchio, R.C., Lain, L., Torre, A., (2003) Chem. Phys. Lett., 375, p. 45
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Citas:
---------- APA ----------
Bochicchio, R.C., Torre, A., Lain, L. & Head-Gordon, M. (2003) . Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]. Chemical Physics Letters, 380(3-4), 486-487.http://dx.doi.org/10.1016/j.cplett.2003.09.035
---------- CHICAGO ----------
Bochicchio, R.C., Torre, A., Lain, L., Head-Gordon, M. "Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]" . Chemical Physics Letters 380, no. 3-4 (2003) : 486-487.http://dx.doi.org/10.1016/j.cplett.2003.09.035
---------- MLA ----------
Bochicchio, R.C., Torre, A., Lain, L., Head-Gordon, M. "Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]" . Chemical Physics Letters, vol. 380, no. 3-4, 2003, pp. 486-487.http://dx.doi.org/10.1016/j.cplett.2003.09.035
---------- VANCOUVER ----------
Bochicchio, R.C., Torre, A., Lain, L., Head-Gordon, M. Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]. Chem. Phys. Lett. 2003;380(3-4):486-487.http://dx.doi.org/10.1016/j.cplett.2003.09.035
