| Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I) | Journal of Physical Chemistry. A |  | | 2020 | 373 | 0 |
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| Theoretical Study of Halogenated B12H(n)X(12-n)2- (X = F, Cl, Br) | Journal of Physical Chemistry. A | | | 2019 | 301 | 65 |
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| Accurate Computational Thermodynamics Using Anharmonic Density Functional Theory Calculations: The Case Study of B–H Species | ACS Omega |  | | 2019 | 527 | 515 |
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| Correlating Boron-Hydrogen Stretching Frequencies with Boron-Hydrogen Bond Lengths in Closoboranes: An Approach Using DFT Calculations | Helvetica Chimica Acta | | | 2018 | 347 | 0 |
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| Critical evaluation of the effect of anharmonicity and dispersion interactions using density functional theory on structural and spectroscopic properties of selected inorganic compounds | | | | 2017 | 1,012 | 753 |
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| Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10− and CB11H12− | International Journal of Hydrogen Energy | | | 2017 | 616 | 2 |
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| A theoretical study of the spectroscopic properties of B2H6 and of a series of BxHyz- species (x = 1-12, y = 3-14, z = 0-2): From BH3 to B12H122- | International journal of hydrogen energy | | | 2016 | 731 | 1 |
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| Theoretical study of B12HnF2-(12-n) species | International journal of hydrogen energy | | | 2015 | 645 | 1 |
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| Isotope Exchange Reactions in Ca(BH4)2 | Journal of physical chemistry. C | | | 2015 | 777 | 0 |
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