Auteur Andreas Klamt
Documents disponibles écrits par cet auteur (4)
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Article : texte imprimé
Paul M. Mathias, Auteur ; J. Richard Elliott, Auteur ; Andreas Klamt, Auteur |The classical problem of 1,3-butadiene recovery from steam cracker C4 hydrocarbons is reconsidered using modern tools of quantum mechanics and molecular simulation. The effectiveness of N,N-dimethylformamide (DMF) and acetonitrile (ACN) to act a[...]
Article : texte imprimé
Article : texte imprimé
Christoph Loschen, Auteur ; Andreas Klamt, Auteur |We present a novel, simpler to use modification of the standard COSMO-RS solubility prediction scheme which in addition can achieve higher accuracy by the usage of multiple experimental reference solubilities. When only one reference solvent is [...]
Article : texte imprimé
Eckert, Frank, Auteur ; Andreas Klamt, Auteur |COSMO-RS, a general and fast methodology for the a priori prediction of thermophysical data of liquids is presented. It is based on cheap unimolecular quantum chemical calculations, which, combined with exact statistical thermodynamics, provide [...]
