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-
ContributorsSethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf
Published inInternational journal of hydrogen energy, vol. 41, no. 16, p. 6814-6824
Publication date2016
Abstract
Keywords
- Boron-hydrogen species
- 11B and 1H NMR chemical shifts
- Vibrational frequencies
- Anharmonicity
- Density functional theory
Affiliation entities
Research groups
Citation (ISO format)
SETHIO, Daniel, LAWSON DAKU, Latevi Max, HAGEMANN, Hans-Rudolf. 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-. In: International journal of hydrogen energy, 2016, vol. 41, n° 16, p. 6814–6824. doi: 10.1016/j.ijhydene.2016.02.121
Main files (1)
Article (Published version)
Identifiers
- PID : unige:83819
- DOI : 10.1016/j.ijhydene.2016.02.121
Additional URL for this publicationhttp://linkinghub.elsevier.com/retrieve/pii/S0360319915312088
Journal ISSN0360-3199