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The top documents tagged [molecular calculations]
Chemistry quiz
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INELASTIC AND REACTIVE ELE- MENTARY PROCESSES IN ATOM- DIATOM, DIATOM-DIATOM COLLISIONS AND BEYOND Antonio Laganà* Dipartimento di Chimica University of
220 views
Platinides – Electronic Structure and Bonding Ulrich Wedig, Gernot Stollhoff, Andrey Karpov, Jürgen Nuss, and Martin Jansen Max-Planck-Institut für Festkörperforschung
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Platinides – Electronic Structure and Bonding
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Basis Sets with: { μ } – a set of known functions For UHF wave-functions two sets of coefficients are needed: if μ AO LCAO-MO if μ AO LCBF-MO
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