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I. MayerE-mail: mayer.istvan@ttk.mta.hu.
http://occam.ttk.mta.hu/
E-mail: mayer.istvan@ttk.mta.hu.
http://occam.ttk.mta.hu/
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I. Mayer | occam.ttk.mta.hu Reviews
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E-mail: mayer.istvan@ttk.mta.hu.
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I. Mayer, jegyzet
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PDF-ek gzippelt "tar" formatumban. Tovabi anyagok azonos formatumban.
Prog. APOST ver. 1.09
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Lowdin populations and Wiberg indices by. Correcting the rotational invariance problem,. For the ab initio SCF wave functions produced by the. Widely used "Gaussian" system (G92 . G09). Gzipped tar file 754 k). Compiled with g77 by using option "static"). Effective AO-s, bond order - valence analysis and. For the ab initio SCF wave functions. Produced by the widely used "Gaussian" system (G92 . G09). Program (up to 500 orbs.). Gzipped tar file 754 k). Program (up to 1000 orbs.). Gzipped tar file 754 k).
I. Mayer
http://occam.ttk.mta.hu/programs/book/indexb.html
Simple Theorems, Proofs and Derivations in Quantum Chemistry. Kluwer, N.Y. 2003. (Russian translation Binom, Moscow, 2006). Bond Orders and Energy Components:. Extracting Chemical Information from Molecular Wave Functions. CRC Press, Boca Raton etc., 2016/17.
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