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20191126094922.0 |
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170131s2016 nju b 001 0 eng c |
| 999 |
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|c 302854
|d 302854
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|a 2016010465
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|a 9780470633465
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|a WaSeSS/DLC
|b spa
|c WaSeSS
|e rda
|d UV#
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| 042 |
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|a pcc
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| 050 |
0 |
0 |
|a QD462
|b M84 2016
|
| 082 |
0 |
0 |
|a 541/.28
|2 23
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| 245 |
1 |
0 |
|a Multiconfigurational quantum chemistry
|c / Björn O. Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov, Per-Olof Widmark.
|
| 264 |
|
1 |
|a Hoboken, New Jersey :
|b John Wiley & Sons,
|c ©2016.
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| 300 |
|
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|a xiv, 224 páginas :
|b ilustraciones ;
|c 25 cm.
|
| 336 |
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|a texto
|2 rdacontent
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| 337 |
|
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|a unmediated
|2 rdamedia
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| 338 |
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|a volume
|2 rdacarrier
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| 504 |
|
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|a Incluye bibliografías e índice.
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| 505 |
0 |
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|a Mathematical background -- Molecular orbital theory -- Hartree-Fock theory -- Relativistic effects -- Basis sets -- Second quantization and multiconfigurational wave functions -- Electron correlation -- Multiconfigurational SCF theory -- The RAS State-Interaction method -- The multireference CI method -- Multi-configurational reference perturbation theory -- CASPT2/CASSCF applications.
|
| 650 |
|
7 |
|a Química cuántica
|9 3165
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| 700 |
1 |
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|a Roos, B. O.
|d 1958-
|9 435220
|q (Björn O.)
|
| 700 |
1 |
|
|a Lindh, Roland,
|d 1958-
|9 435229
|
| 700 |
1 |
|
|a Malmqvist, Per Åke,
|d 1963-
|
| 700 |
1 |
|
|a Veryazov, Valera,
|d 1963-
|9 435231
|
| 700 |
1 |
|
|a Widmark, Per-Olof,
|d 1956-
|9 435232
|
| 942 |
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|2 lcc
|c LIBRO
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