Reinhart Ahlrichs — Prof. Dr. Reinhart Ahlrichs is a German theoretical chemist.Ahlrichs studied Physics at the University of Goettingen (Diplom (M.Sc.) in 1965) and received his PhD in 1968 with W. A. Bingel. From 1968 69 he was assistant at Goettingen with Werner… … Wikipedia
Reinhart Ahlrichs — (* 16. Januar 1940 in Göttingen) ist ein deutscher theoretischer Chemiker. Inhaltsverzeichnis 1 Leben und Werk 2 Auszeichnungen 3 Mitgliedschaften 4 … Deutsch Wikipedia
Reinhart Ahlrichs — est un chimiste théoricien allemand. Sommaire 1 Biographie 2 Récompenses et nominations 3 Voir aussi 4 Liens externes … Wikipédia en Français
MOLPRO — in collaboration with other authors.The emphasis in the program is on highly accurate computations, with extensive treatment of the electron correlation problem through the multireference configuration interaction, coupled cluster and associated… … Wikipedia
GAUSSIAN — Generally, the word Gaussian pertains to Carl Friedrich Gauss and his ideas. GAUSSIAN is a computational chemistry software program, first written by John Pople. [ Computational Chemistry , David Young, Wiley Interscience, 2001. Appendix A. A.2.4 … Wikipedia
Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li … Wikipedia
Q-Chem — is an ab initio computational chemistry software program. [ Computational Chemistry , David Young, Wiley Interscience, 2001. Appendix A. A.2.7 pg 339, Q Chem ] Q Chem can perform a number of general quantum chemistry calculations, including… … Wikipedia
ABINIT — [X. Gonze, J. M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G. M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, P. Ghosez, J. Y. Raty, and D.C. Allan, Comput. Mat. Science 25, 478 (2002)] [X. Gonze, G. M … Wikipedia
MOLCAS — is an ab initio computational chemistry program, developed at Lund University. Focus in the program is placed on methods for calculating general electronic structures in molecular systems in both ground and excited states. MOLCAS is, in… … Wikipedia
CAMD — Unter Molekulardesign (engl. molecular modeling (AE) bzw. molecular modelling (BE), auch computer aided molecular design, CAMD) werden Techniken für computerunterstütztes Modellieren chemischer Moleküle zusammengefasst. Diese Techniken… … Deutsch Wikipedia
