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HomeAuthorsSethio, Daniel

Sethio, Daniel

 
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Title Year Hits Downloads
Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I) 2020 231 0
Accurate Computational Thermodynamics Using Anharmonic Density Functional Theory Calculations: The Case Study of B–H Species 2019 402 89
Theoretical Study of Halogenated B12H(n)X(12-n)2- (X = F, Cl, Br) 2019 188 65
Correlating Boron-Hydrogen Stretching Frequencies with Boron-Hydrogen Bond Lengths in Closoboranes: An Approach Using DFT Calculations 2018 234 0
Critical evaluation of the effect of anharmonicity and dispersion interactions using density functional theory on structural and spectroscopic properties of selected inorganic compounds 2017 539 84
Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10− and CB11H12− 2017 404 2
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- 2016 491 1
Theoretical study of B12HnF2-(12-n) species 2015 474 1
Isotope Exchange Reactions in Ca(BH4)2 2015 580 0
3543 242
View all records: 95832
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