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SB01 9:00 – 9:17 Ab initio CALCULATIONS FOR THE GROUP 2 M2O HYPERMETALLIC OXIDES B. Ostojić1, Per Jensen2, P. A. Schwerdtfeger3, and P. R. Bunker4 1 Institute of Chemistry, Technology and Metallurgy, University of Be
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Document Date: 2014-09-26 11:54:46


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Huelva / Madrid / Ottawa / Nizhniy Novgorod / Bruxelles / Kowloon / Paris / Auckland / Wuppertal / Lowell / Belgrade / Bologna / Tomsk / Brussels / Créteil Cedex / /

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New Zealand 4 Steacie Laboratory / Hadath/Lebanon 3 MQMM Laboratory / United Kingdom 2 Ab / Pearson / Hadath/Lebanon 2 MQMM Laboratory / MQMM Laboratory / /

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Germany / Italy / Serbia / Belgium / France / Russia / United States / Canada / United Kingdom / Spain / /

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Facility

Massey University / Russia Institute / Southampton University / J. M. Dyke / The New Zealand Institute / University College London / V.E. Zuev Institute of Atmospheric Optics SB RAS / Institute of Applied Physics / Tomsk Polytechnic University / Hong Kong Polytechnic University / University of Belgrade / Institute of Chemistry / Lebanese University / University of Massachusetts Lowell / /

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energy levels / metal stoichiometries / dimensional potential energy / quantum software / transition metal hydrides / molecule rotational energy levels / potential energy surfaces / higher energy levels / rotational energy levels / energy / energy function / torsional energy barriers / vibrational energy levels / potential energy surface / potential energy curves / carbon dioxide algorithm / vibrational state energy levels / gas phase / /

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Institute of Applied Physics / Tomsk Polytechnic University / Department of Environmental / Department of Applied Biology and Chemical Technology / Centre for Theoretical Chemistry and Physics / Massey University Auckland / School of Chemistry / Department of Physics and Astronomy / University College London / London / Institute of Chemistry / Technology and Metallurgy / Petrochemistry Department / Hong Kong Polytechnic University / University of Belgrade / Institut P.-S. Laplace / Universidad Politécnica de Madrid / New Zealand Institute for Advanced Study / Jonathan Tennyson Department of Physics and Astronomy / Commun Trunc Department / Universidad de Huelva / Bergische Universität / Department of Environmental / Earth / and Atmospheric Sciences / Instituto de Estructura / Institute of Atmospheric Optics SB RAS / National Research Council of Canada / Southampton University / Institute of Chemistry / Lebanese University / University of Massachusetts Lowell / /

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Jean Vander / Hung Hom / J. Cizek / V / Jonathan Tennyson / D. Roosevelt / A. J. Eskola / /

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Advanced Investigator / /

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Generalized Euler Transformation (GET) / /

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Massachusetts / Ontario / /

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Optics and Spectroscopy / Physica Scripta / /

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USA The algorithms / carbon dioxide algorithm / Spectroscopy / Simulation / /

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www.exomol.com / /

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