Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Leyla Mohammadi Amlashi"'
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Ab initio and density functional studies of the properties of 11 linear dihydrogen-bonded complexes pairing XeH2 with different proton donor molecules was undertaken at the MP2/6-311++G(2d,2p)/LJ18, MP2/DGDZVP, and B3LYP/DGDZVP computational levels.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d03f57ad8ae96ffb5a5ab35a5ef8e088
https://doi.org/10.1016/j.cplett.2006.02.070
https://doi.org/10.1016/j.cplett.2006.02.070
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 758:241-245
The interaction of CH3 radical with OCH+, SiOH+, HCNH+, HNCH+, and NH 4 + is reported to show the existence of single-electron proton bound complexes with these species. The complex structures corresponding to minima on the MP2/6-311++G(2d,2p) potent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb73aedb1a06d26606808179c77fe315
https://doi.org/10.1016/j.theochem.2005.10.007
https://doi.org/10.1016/j.theochem.2005.10.007