검색결과 : 5건
| No. | Article |
|---|---|
| 1 |
Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I) Sethio D, Martins JBL, Daku LML, Hagemann H, Kraka E Journal of Physical Chemistry A, 124(8), 1619, 2020 |
| 2 |
Theoretical Study of Halogenated B12HnX(12-n)2- (X = F, Cl, Br) Sharma M, Sethio D, Daku LML, Hagemann H Journal of Physical Chemistry A, 123(9), 1807, 2019 |
| 3 |
Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)(2), CB9H10- and CB11H12- Sethio D, Daku LML, Hagemann H International Journal of Hydrogen Energy, 42(35), 22496, 2017 |
| 4 |
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 D, Daku LML, Hagemann H International Journal of Hydrogen Energy, 41(16), 6814, 2016 |
| 5 |
Theoretical study of B12HnF(12-n)2- species Sharma M, Sethio D, D'Anno V, Hagemann H International Journal of Hydrogen Energy, 40(37), 12721, 2015 |