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Иш: Density functional theory based analyses of beryllium oxide fullerene assisted adsorptions of ammonia, phosphine, and arsine toxic gases towards sensing and removal prospective applications

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI
  2. Сарлавҳасиз

    Бошқа12 иқтибос
    ABI
  3. 6-31G* basis set for atoms K through Zn

    Vitaly A. Rassolov, John A. Pople, Mark A. Ratner +1

    Мақола19989 иқтибос
    ABI
  4. Polarizable continuum model

    Benedetta Mennucci

    Мақола20129 иқтибос
    ABI
  5. Stem cells and common biomaterials in dentistry: a review study

    Seyed Ali Mosaddad, Boshra Rasoolzade, Reza Abdollahi Namanloo +2

    Шарҳ мақола20228 иқтибос
    ABI
  6. Quantum Theory of Atoms in Molecules–Dalton Revisited

    R. F. W. Bader, T. T. Nguyen‐Dang

    Боб19818 иқтибос
    ABI
  7. A possible definition of basis set superposition error

    Ernest R. Davidson, Subhas J. Chakravorty

    Мақола19948 иқтибос
    ABI
  8. Сарлавҳасиз

    Бошқа7 иқтибос
    ABI
  9. Sensing the formaldehyde pollutant by an enhanced BNC18 fullerene: DFT outlook

    Miao Dai, M. Mirzaei, Farzad Toiserkani +4

    Мақола20235 иқтибос
    ABI
  10. Beryllium oxide nano-cage as sorbent and sensor for formaldehyde gas: DFT-D3 calculations

    H.M. Badran, Kh.M. Eid, H.O. Al-Nadary +1

    Мақола20234 иқтибос
    ABI
  11. Computational study of toxic gas removal

    Zakir Ullah, Fazli Sattar, Hyun Jee Kim +4

    Мақола20224 иқтибос
    ABI
  12. Natural bond orbital methods

    Eric D. Glendening, Clark R. Landis, Frank Weinhold

    Мақола20114 иқтибос
    ABI
  13. A model of FeN-decorated BeO layer particle for CO gas adsorption

    Kosar Zarifi, Farnaz Rezaei, Seyed Mehdi Alizadeh

    Мақола20213 иқтибос
    ABI
  14. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI