Básica-intermedia.
[1] Joan Bertran Rusca, Vicenç Branchadell Gallo, Miquel Moreno Ferrer, Mariona Sodupe Roure, Química cuántica : fundamentos y aplicaciones computacionales, Síntesis, Madrid, 2000
[2] Thomas Engel y Philip Read, Química Física , Pearson Educacion, Madrid, 2006. Capítulo 12 a 29. De especial relevancia el capítulo 27 Química Computacional escrito por W.J. Hehre.
[3a] Ira N. Levine, Química Cuántica , Pearson Educacion, Madrid, 2001.
[3b] Ira N. Levine, Quantum Chemistry, Pearson Education, Upper Saddle River, 2009.
[4] John P. Lowe y Kirk A. Peterson, Quantum Chemistry 3rd ed, Elsevier Academic Press, Amsterdam, 2006.
[5] Errol G. Lewars, Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics Springer, 2008
[6] James B. Foresman and AEleen Frisch, Exploring Chemistry With Electronic Structure Methods: A Guide to Using Gaussian , Gaussian, 1996.
[7] Juan Andrés, Juan Beltrán [eds], Química Teórica y Computacional, Castellón de La Plana, Universidad Jaime I, 2000.
[8] Paul Popelier, Atoms in molecules: an introduction, Prentice Hall, 2000
Avanzada .
[7] R. F. Bader, Atoms in molecules: a quantum theory, Oxford University Press, 2003.
[8] F. Weinhold, C. R. Landis, Valency and Bonding. A Natural Bond Orbital Donor-Acceptor Perspective, Cambridge University Press, 2005.
[9] Steven M. Bachrach, Computational Organic Chemistry, Wiley-Interscience, New Jersey, 2007.
[10] M. Olivucci ed., Computational Photochemistry, Elsevier, Amsterdam, 2005.
Enlaces.
[1] Z-Matrices Lab Activity
[2] Prof. Hendrik Zipse. Computational Chemistry 1
[3] Prof. Hendrik Zipse. Computational Chemistry 2
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