Sethio, Daniel

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 B_xHyz- species (x = 1-12, y = 3-14, z = 0-2): From BH₃ to B₁₂H122-	2016	491	1
Theoretical study of B₁₂H_nF^2-_(12-n) species	2015	474	1
Isotope Exchange Reactions in Ca(BH₄)₂	2015	580	0
		3543	242

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