Show items per page
Elements: 10
Page 1 on 1
 TitleAuthors / EditorsDate
add to browser selection
Theoretical study of B12HnF2-(12-n) species Sharma, Manish; Sethio, Daniel; D'Anna, Vincenza; Hagemann, Hans-Rudolf 2015
add to browser selection
Isotope Exchange Reactions in Ca(BH4)2 Sharma, Manish; Sethio, Daniel; D'Anna, Vincenza; Fallas Chinchilla, Juan Carlos; ... Hagemann, Hans-Rudolf 2015
add to browser selection
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- Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf 2016
add to browser selection
Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10 and CB11H12 Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf 2017
add to browser selection
Critical evaluation of the effect of anharmonicity and dispersion interactions using density functional theory on structural and spectroscopic properties of selected inorganic compounds Sethio, Daniel 2017
add to browser selection
Correlating Boron-Hydrogen Stretching Frequencies with Boron-Hydrogen Bond Lengths in Closoboranes: An Approach Using DFT Calculations Hagemann, Hans-Rudolf; Sharma, Manish; Sethio, Daniel; Lawson Daku, Latevi Max 2018
add to browser selection
Theoretical Study of Halogenated B12H(n)X(12-n)2- (X = F, Cl, Br) Sharma, Manish; Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf 2019
add to browser selection
Accurate Computational Thermodynamics Using Anharmonic Density Functional Theory Calculations: The Case Study of B–H Species Maillard, Robert; Sethio, Daniel; Hagemann, Hans-Rudolf; Lawson Daku, Latevi Max 2019
add to browser selection
Quantitative Assessment of B−B−B, B−Hb−B, and B−Ht Bonds: From BH3 to B12H122− Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf; Kraka, Elfi 2019
add to browser selection
Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I) Sethio, Daniel; Martins, João B. L.; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf; Kraka, Elfi 2020