All Stories

  1. Transition metals doped fullerenes: structures – NLO property relationships

    Article • Molecular Physics, October 2018, Taylor & Francis

    Dr hongliang xu

  2. The effect of ring sizes and alkali metal cations on interaction energy, charge transfer and nonlinear optical properties of crown ether derivatives

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr hongliang xu

  3. Ammonia borane in an external electric field: structure, charge transfer, and chemical bonding

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr hongliang xu

  4. The effect of boron nitride nanotubes size on the HArF interaction by NBO and AIM analysis

    Article • International Journal of Quantum Chemistry, August 2014, Wiley

    Dr hongliang xu

  5. Probing the relationship between spin contamination and first hyperpolarizability: Open-shell Möbius anion

    Article • International Journal of Quantum Chemistry, February 2014, Wiley

    Dr hongliang xu

  6. The V-shaped polar molecules encapsulated into Cs (10528)-C72: stability and nonlinear optical response

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr hongliang xu

  7. N-Methylbenzoaza-18-crown-6-ether derivatives as efficient alkali metal cations sensors: the dipole moment and first hyperpolarizability

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Dr hongliang xu

  8. Superatoms (Li3O and BeF3) induce phenalenyl radical π-dimer: fascinating interlayer charge-transfer and large NLO responses

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr hongliang xu

  9. After the electronic field: Structure, bonding, and the first hyperpolarizability of HArF

    Article • Journal of Computational Chemistry, January 2013, Wiley

    Dr hongliang xu