Search Results - Melicherčík, Miroslav

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  1. 1
    Off-Center Gaussian Functions, an Alternative Atomic Orbital Basis Set for Accurate Noncovalent Interaction Calculations of Large Systems

    Off-Center Gaussian Functions, an Alternative Atomic Orbital Basis Set for Accurate Noncovalent Interaction Calculations of Large Systems by Melicherčík, Miroslav, Pitoňák, Michal, Kellö, Vladimír, Hobza, Pavel, Neogrády, Pavel

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  2. 2
    Off‐center Gaussian functions: Applications toward larger basis sets, post‐second‐order correlation treatment, and truncated virtual orbital space in investigations of noncovalent interactions

    Off‐center Gaussian functions: Applications toward larger basis sets, post‐second‐order correlation treatment, and truncated virtual orbital space in investigations of noncovalent... by Melicherčík, Miroslav, Suchá, Denisa, Neogrády, Pavel, Pitoňák, Michal

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  3. 3
    Electron Affinities of Uracil: Microsolvation Effects and Polarizable Continuum Model

    Electron Affinities of Uracil: Microsolvation Effects and Polarizable Continuum Model by Melicherčík, Miroslav, Pašteka, Lukáš F, Neogrády, Pavel, Urban, Miroslav

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  4. 4
    CASPT2 and CCSD(T) calculations of dipole moments and polarizabilities of acetone in excited states

    CASPT2 and CCSD(T) calculations of dipole moments and polarizabilities of acetone in excited states by Pašteka, Lukáš F., Melicherčík, Miroslav, Neogrády, Pavel, Urban, Miroslav

    Published in Molecular physics
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  5. 5
    Measuring concurrency of parallel algorithms

    Measuring concurrency of parallel algorithms by skrinarova, J., Melichercik, M.

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