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AR-BCCAB |
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| 020 |
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|a 0195042794
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| 020 |
# |
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|a 0195092767
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| 040 |
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|a DLC
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|d DLC
|b spa
|d arbccab
|d OBA
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| 080 |
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|a 539.141
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| 082 |
0 |
0 |
|a 530.4/1
|2 19
|
| 100 |
1 |
# |
|a Parr, Robert G.
|e autor
|
| 245 |
1 |
0 |
|a Density-functional theory of atoms and molecules
|c Robert G. Parr and Weitao Yang
|
| 260 |
# |
# |
|a New York :
|b Oxford University Press ;
|a Oxford [England] :
|b Clarendon Press,
|c 1989.
|
| 300 |
# |
# |
|a x, 333 páginas
|b ilustraciones
|c 24 cm.
|
| 336 |
# |
# |
|a texto
|b txt
|2 rdacontent
|
| 337 |
# |
# |
|a no mediado
|b n
|2 rdamedia
|
| 338 |
# |
# |
|a volumen
|b nc
|2 rdacarrier
|
| 490 |
1 |
# |
|a International series of monographs on chemistry
|v 16
|
| 504 |
# |
# |
|a Incluye referencias bibliografía (páginas 285-317) e índice
|
| 520 |
# |
# |
|a This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.
|
| 650 |
# |
0 |
|a Electronic structure
|2 Tesauro INIS
|
| 650 |
# |
0 |
|a Density functionals
|2 Tesauro INIS
|
| 650 |
# |
7 |
|a Quantum theory
|2 lemb
|
| 650 |
# |
7 |
|a Teoría cuántica
|2 lemb
|
| 650 |
# |
7 |
|a Método de densidad funcional
|2 Tesauro INIS
|
| 650 |
# |
7 |
|a Estructura electrónica
|2 Tesauro INIS
|
| 650 |
# |
7 |
|a Química cuántica
|2 lemb
|
| 700 |
1 |
# |
|a Yang, Weitao
|e autor
|
| 856 |
# |
# |
|u http://campi.cab.cnea.gov.ar/tocs/20368.pdf
|3 Indice
|z ACCESO ABIERTO
|y Tabla de contenido
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|2 udc
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|i 13696
|o 539.141 P247 Ej.1
|p 13696
|t 1
|y BK
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| 952 |
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|2 udc
|a ARBCCAB
|b ARBCCAB
|i 18386
|o 539.141 P247 Ej.2
|p 18386
|t 2
|y BK
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| 952 |
# |
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|2 udc
|a ARBCCAB
|b ARBCCAB
|d 20080118
|e Blackwell
|g U$S163.05
|i 20368
|o 539.141 P247 Ej.3
|p 20368
|t 3
|y BK
|