Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Faxin He"'
Publikováno v:
International Journal of Quantum Chemistry. 89:550-558
The hydrogen bonding complexes formed between the H2O and OH radical have been completely investigated for the first time in this study using density functional theory (DFT). A larger basis set 6-311++G(2d,2p) has been employed in conjunction with a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a7fd27cac7ec128d5b14d8b3da8b6901
https://doi.org/10.1002/qua.10315
https://doi.org/10.1002/qua.10315
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 401:35-43
This paper presents a hydration potential function scheme for the accurate determination of various electron transfer kinetics parameters. By comparing the common features of the electron transfer process and the hydration process of an ion, two hydr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::133a917b565e9c793d1c783c34f6e58e
https://doi.org/10.1016/s0166-1280(97)00005-5
https://doi.org/10.1016/s0166-1280(97)00005-5
Publikováno v:
International Journal of Quantum Chemistry. 61:117-126
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf7cdf25d84c3d031aaba497cfcc1e0d
https://doi.org/10.1002/(sici)1097-461x(1997)61:1<117::aid-qua14>3.0.co
https://doi.org/10.1002/(sici)1097-461x(1997)61:1<117::aid-qua14>3.0.co