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John von Neumann-Institut für Computing, Publikationen
LEctures on Computational chemistryDOSITS: Home
web page about sound in tthe seamanual MOLCAS
MOLCAS manualWelcome to the ORCA
ORCA Ab initio, semiempirical and DFT calculation program.TURBOMOLE Basis Set Library
Turbomole basis set with the option to get them in different formats (Gaussian, MOlpro, Dalton)NIST Chemistry WebBook
NIST site provides chemical and physical property data on over 40,000 compounds.Lecture
Indiana University Department of Chemistry web siteThe MathWorks - MATLAB Central - File Exchange
Páxina con ficheiros-m para facer cálculos co MATLABNumerical Methods Simulations Maple Mathcad Mathematica Matlab
Exemplos de Maple Mathcad y Mathematica

