Résultat(s) 1 - 4 résultats de 4 pour la requête 'Vikramaditya, Talapunur' Aller au contenu
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Résultat(s) 1 - 4 résultats de 4 pour la requête 'Vikramaditya, Talapunur', Temps de recherche: 1,36s Affiner les résultats
  1. 1
    Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange
    Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange
    par Vikramaditya, Talapunur
    Publié dans: Journal of computational chemistry (2019)

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  2. 2
    Impact of non-empirically tuning the range-separation parameter of long-range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps
    Impact of non-empirically tuning the range-separation parameter of long-range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps
    par Vikramaditya, Talapunur
    Publié dans: Journal of computational chemistry (2018)

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  3. 3
    Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory
    Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory
    par Vikramaditya, Talapunur
    Publié dans: Journal of computational chemistry (2017)

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  4. 4
    Effect of substitutionally boron-doped single-walled semiconducting zigzag carbon nanotubes on ammonia adsorption
    Effect of substitutionally boron-doped single-walled semiconducting zigzag carbon nanotubes on ammonia adsorption
    par Vikramaditya, Talapunur
    Publié dans: Journal of computational chemistry (2014)

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