Výsledky vyhledávání - "Deborah J. Hankinson"

Cluster models for lithium intercalated graphite: electronic structures and energetics

Publikováno v: Journal of Molecular Structure: THEOCHEM. 388:245-256

Model compounds designed to simulate graphite and lithium intercalated graphite (LIG) have been investigated in ab initio calculations at the Hartree-Fock and Second-Order Moller-Plesset levels of theory. Several cluster models were used in attempts

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::279215bba20446e0513f2e08186d9acc
https://doi.org/10.1016/s0166-1280(96)80038-8

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Influence of initial electrostatic interactions on final product distributions in gas-phase organometallic ion/molecule reactions. 2. The chromium(1+)/n-butyl chloride system

Autor: Deborah J. Hankinson, John Allison, Clifford B. Miller

Publikováno v: The Journal of Physical Chemistry. 93:3624-3630

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8e980afa4e6de2f9d9d5f31377ddc93f
https://doi.org/10.1021/j100346a048

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Gas-phase chemistry of transition-metal ions with alkanes: do initial electrostatic interactions control final product distributions?

Autor: Deborah J. Hankinson, John Allison

Publikováno v: The Journal of Physical Chemistry. 91:5307-5314

There are features of the dynamics of gas-phase ion/molecule reactions that make them unique when compared to neutral/neutral reactions and solution processes. Exceedingly rich and complex chemistry can be observed in gas-phase systems in which a rea

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bd9ec140b516b8c16ebb1ccc34dffa2b
https://doi.org/10.1021/j100304a035

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