Amat L.
77
Coauthors
29
Documentos
Volumen de publicaciones por año
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| Año de publicación | Num. Publicaciones |
|---|---|
| 1995 | 1 |
| 1996 | 1 |
| 1997 | 4 |
| 1998 | 3 |
| 1999 | 7 |
| 2000 | 5 |
| 2001 | 1 |
| 2002 | 3 |
| 2003 | 3 |
| 2004 | 1 |
Publicaciones por áreas de conocimiento
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| Área de conocimiento | Num. Publicaciones |
|---|---|
| Química teórica | 20 |
| Relación cuantitativa estructura-actividad | 12 |
| Bioquímica | 6 |
| Optimización matemática | 3 |
| Ciencia de materiales | 3 |
| Mecánica cuántica | 3 |
| Ciencias de la computación | 2 |
| Química orgánica | 2 |
| Ingeniería química | 2 |
| Biología molecular | 2 |
Publicaciones por áreas temáticas
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| Área temática | Num. Publicaciones |
|---|---|
| Química física | 18 |
| Química analítica | 14 |
| Química orgánica | 12 |
| Farmacología y terapéutica | 4 |
| Ciencias de la computación | 3 |
| Bioquímica | 3 |
| Química inorgánica | 2 |
| Física | 2 |
| Mecánica de fluidos | 1 |
| Ingeniería y operaciones afines | 1 |
Principales fuentes de datos
| Origen | Num. Publicaciones |
|---|---|
| Scopus | 29 |
| Google Scholar | 0 |
| RRAAE | 0 |
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Coautores destacados por número de publicaciones
| Coautor | Num. Publicaciones |
|---|---|
| Ramón Carbö-D̈orca | 29 |
| Besalu E. | 9 |
| Ponec R. | 8 |
| Gironés X. | 7 |
| Robert D. | 5 |
| Fradera X. | 3 |
| Allan N.L. | 2 |
| Cooper D.L. | 2 |
| Giralt F. | 1 |
| Ferre-Gine J. | 1 |
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Top Keywords
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Publicaciones del autor
Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diaittmine-dichloroplatinum(II) complex as an application example
ArticleAbstract: A consistent set of fitted electronic density functions was generated for the elements from hydrogenPalabras claves:Atomic shell approximation (ASA), cis-diamminedichloroplatinum, Elementary Jacobi rotations (EJR), Promolecular density functions, Quantum similarity measures (QSM)Autores:Amat L., Ramón Carbö-D̈orcaFuentes:scopusMolecular electronic density fitting using elementary Jacobi rotations under atomic shell approximation
ArticleAbstract: Fitted electron density functions constitute an important step in quantum similarity studies. This fPalabras claves:Autores:Amat L., Ramón Carbö-D̈orcaFuentes:scopusUse of promolecular ASA density functions as a general algorithm to obtain starting MO in SCF calculations
ArticleAbstract: Atomic shell approximation (ASA) constitutes a way to fit first-order density functions to a linearPalabras claves:ASA, density function, LCAO MO, PASA, SCFAutores:Amat L., Ramón Carbö-D̈orcaFuentes:scopusQuantum similarity measures under atomic shell approximation: First order density fitting using elementary Jacobi rotations
ArticleAbstract: The elementary Jacobi rotations technique is proposed as a useful tool to obtain fitted electronic dPalabras claves:Atomic shell approximation, Carbó index, Elementary Jacobi rotations, Promolecular densities, Quadratic error integral function, Quantum similarity measuresAutores:Amat L., Ramón Carbö-D̈orcaFuentes:scopusA comparative study of isodensity surfaces using ab initio and ASA density functions
ArticleAbstract: In this article, we report a visual comparison between several of the available methods for construcPalabras claves:Ab initio densities, Atomic shell approximation densities, Marching cubes algorithm, Molecular quantum similarity measures, Promolecular densitiesAutores:Amat L., Gironés X., Ramón Carbö-D̈orcaFuentes:scopus