BB Jensen, Frank. Introduction to computational chemistry / Frank Jensen . - 2nd ed. Chichester [etc.] : John Wiley & Sons, cop. 2007
BB Jensen, Jan H.. Molecular modeling basics / Jan H. Jensen Boca Raton, FL [etc.] : CRC Press, 2010
BB Levine, Ira N.. Química cuántica / Ira N. Levine ; traducción Alberto Requena Rodríguez, Adolfo Bastida Pascual, José Zúñiga Román . - 5ª ed. Madrid [etc.] : Prentice Hall, D.L. 2001
BB Química cuántica : Fundamentos y aplicaciones computacionales / Joan Bertran Rusca...[et al.] Madrid : Síntesis, D.L. 2000
BC Cramer, Christopher J.. Essentials of computational chemistry : theories and models / Christopher J. Cramer . - 2nd ed. Chichester : John Wiley & Sons, 2006
BC Foresman, James B.. Exploring chemistry with electronic structure methods / James B. Foresman, AEleen Frisch . 2nd ed. Pittsburgh, PA : Gaussian, Inc., 1996
BC Hinchliffe, A.. Modelling molecular structures. 2nd. Wiley. 2000
BC Leach, Andrew R.. Molecular modelling : principles and applications / Andrew R. Leach . - 2nd ed. New York : Prentice Hall, 2001
 
LISTADO DE URLs:
 
  Blog: Computational Organic Chemistry (Steven M. Bachrach)
[http://comporgchem.com/blog/]
  Blog: Henry Rzepa (Chemistry with a twist)
[http://www.ch.imperial.ac.uk/rzepa/blog/]
  Blog: Molecular Modeling Basics
[http://molecularmodelingbasics.blogspot.com.es/]
  MolCalc, molecule calculator
[http://molcalc.org/]
  Página oficial de Gaussian
[http://www.gaussian.com/index.htm]