Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Kyle K.G. Smith"'
Autor:
Kyle K.G. Smith, David A. Dixon
A new formulation of quantum mechanics is suggested through the quantization of Hamilton's equations of classical dynamics and the classical phase space density. It is shown that the Schrodinger equation is easily derived from this new formulation, a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::112d77832f2a9ec363630312d85c2e19
https://doi.org/10.1016/bs.arcc.2020.07.002
https://doi.org/10.1016/bs.arcc.2020.07.002
Computational Study of the Hydrolysis Reactions of Small MO2 (M = Zr and Hf) Nanoclusters with Water
Autor:
James L. Gole, Natalie W. Gist, David A. Dixon, Shenggang Li, Zongtang Fang, Matthew D. Outlaw, Kyle K.G. Smith
Publikováno v:
The Journal of Physical Chemistry C. 116:8475-8492
Density functional theory (DFT) has been used to study the hydrolysis reaction of (MO2)n (M = Zr, Hf, n = 1–4) nanoclusters in the ground singlet and first triplet states. The reactions for singlet n = 1 were benchmarked at the CCSD(T) level of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ae9f8ad3cfd39b838ae9a51aba4b2a1e
https://doi.org/10.1021/jp210867w
https://doi.org/10.1021/jp210867w
