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Education Making the most of a QM calculation

1.Making the most of a QM calculationNoel O’Boylewww.ccdc.cam.ac.uk2. Tools • GaussSum • cclib • Pybelwww.ccdc.cam.ac.uk 3. Themes • Interoperability • Reinvent…

Documents Calculating Molecular Properties from molecular orbital calculations.

Slide 1 Calculating Molecular Properties from molecular orbital calculations Slide 2 Geometric Properties §Bond length §Bond angle §Dihedral angle A single lowest energy…

Documents Stephane Grévy : [email protected] October 8, 2012 Unveiling the intruder deformed 0 + 2 state in 34.....

Diapositive 1 Stephane Grévy : [email protected] October 8, 2012 Unveiling the intruder deformed 0+2 state in 34Si20 and few words about N=28 IFIN - Bucharest F. Rotaru (PhD)…

Documents Calculating Molecular Properties

Calculating Molecular Properties from molecular orbital calculations Geometric Properties Bond length Bond angle Dihedral angle A single lowest energy equilibrium structure…

Documents Shell-model calculations of psd -shell nuclei Furong Xu School of Physics, Peking University

T. Otsuka et al., PRL 105, 032501 (2010) Shell-model calculations of psd-shell nuclei Furong Xu School of Physics, Peking University Introduction Shell-model calculations…

Documents Stephane Grévy : [email protected]

Diapositive 1 Stephane Grévy : [email protected] October 8, 2012 Unveiling the intruder deformed 0+2 state in 34Si20 and few words about N=28 IFIN - Bucharest F. Rotaru (PhD)…