Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Victor Ya Antonchenko"'
Publikováno v:
TASK Quarterly, Vol 15, Iss 2 (2011)
We investigate the band structure of Fe-based superconductors using the firstprinciple method of density-functional theory. We calculated the band structure and the density of states at the Fermi level for ReFeAsO (Re = Sm, Dy, Ho, Er) superconductor
Externí odkaz:
https://doaj.org/article/5e99b46080784ef59acf34048c989805
Publikováno v:
International Journal of Quantum Chemistry. 110:1-4
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::46da987ab278ca25ef9446d3284a15cc
https://doi.org/10.1002/qua.22324
https://doi.org/10.1002/qua.22324
Publikováno v:
Chemical Physics. 327:485-493
A variety of the bonding scenarios that are performed on the potential energy surface of interaction between the superoxide radical anion and the lower-energy water hexamers such as ring, chair, prism, and cage are proposed and elaborated. It is demo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::320d9940fb9578866b9e1f7158132420
https://doi.org/10.1016/j.chemphys.2006.06.003
https://doi.org/10.1016/j.chemphys.2006.06.003
Publikováno v:
NATO Science for Peace and Security Series A: Chemistry and Biology ISBN: 9789048124831
SelfOrganization of Molecular Systems
SelfOrganization of Molecular Systems
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::57abb48646a21ff6483be7d9b0732423
https://doi.org/10.1007/978-90-481-2590-6
https://doi.org/10.1007/978-90-481-2590-6
Publikováno v:
The journal of physical chemistry. A. 109(13)
The lower-energy portions of the potential energy surfaces of superoxide hydrates O2(-)(H2O)(1or = nor = 4) are thoroughly investigated at high computational levels. The structural, energetic and spectroscopic features of the stable superoxide hydrat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2381fbb3b920aa2ef1964d6765a87b58
https://pubmed.ncbi.nlm.nih.gov/16833629
https://pubmed.ncbi.nlm.nih.gov/16833629
Proceedings of the NATO Advanced Research Workshop on Molecular Self-Organization: From Molecules to Water, to Nanoparticles, to DNA and Proteins Kyiv, Ukraine 8-12 June 2008