New PDF release: From electronic structure to time-dependent processes

By Per-Olov Löwdin; et al

ISBN-10: 0120348381

ISBN-13: 9780120348381

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Comput. Sci. (in press). Extended Density Functions 61 52. Sen, E. Besahi and R. Carb6-Dorca, "A na'fve look on the Hohenberg-Kohn theorem", Institute of Computational Chemistry Technical Report: IT-IQC-9838. (1998) 53. See, for example: a) R. Bonaccorsi, E. Scrocco and J. Tomasi, J. Chem. Phys. 52, 5270 (1970). b) For an actualised lively review see: J. S. Murray and K. ), in "Molecular Electrostatic Potentials: Concepts and Applications", Vol. 3, (Theoretical and Computational Chemistry, Elsevier, Amsterdam 1996).

Mol. Struct. (Theochem) 227, 1 (1991). 23. A. C. Good, J. Mol. Graph. 10, 144 (1992). 24. R. Benigni, M. Cotta-Ramusino, F. Giorgi and Gr. Gallo, J. Med. Chem. 38, 629 (1995). 25. J. D. Petke, J. Comp. Chem. 14, 928 (1993). 26. A. Riera, J. Mol. Struct. (Yheochem) 259, 83 (1992). 27. See for example: a) F. Fratev, O. E. Polansky, A. Mehlhom and V. Monev, J. Mol. Struct. 56, 245 (1979). b) F. Fratev, V. Monev, A. Mehlhorn, O. and E. Polansky, J. Mol. Struct. 56, 255 (1979). 28. See for example: a) M.

Comp. Sci. 38, 624 (1998). Carb6-Dorca, J. -Aided Mol. , 13, 259 (1999). Ponec, J. Comp. Chem. 19, 1575 (1998). Carb6-Dorca, "Similarity Approach to LFER : Substituent and solvent effects on the acidities of carboxylic acids". (1998). See also: J. Phys. Org. (in press). Carb6-Dorca, "Quantum Similarity approach to the characterization of molecular chiratlity". Institute of Computational Chemistry Technical Report: IT-IQC-98-16. (1998) J) D. Robert, L. Amat and R. Carb6-Dorca, 3D QSAR from tuned molecular quantum similarity measures: Prediction of the CBG binding affinity for a steroids family.

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From electronic structure to time-dependent processes by Per-Olov Löwdin; et al


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