Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Benjamin C. Gamoke"'
Publikováno v:
The journal of physical chemistry. A. 125(21)
The complex interactions between different portions of a large molecule can be challenging to analyze through traditional electronic structure calculations. Moreover, standard methods cannot easily quantify the physical consequences of individual pai
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cb76b8f114b898628d88349eb81409aa
https://pubmed.ncbi.nlm.nih.gov/34014684
https://pubmed.ncbi.nlm.nih.gov/34014684
Publikováno v:
The Journal of Physical Chemistry C. 117:2078-2083
Atomic ordering in vapor-phase epitaxially grown ternary III–V compound semiconductor alloys is a topic of active interest. In this paper, the mechanistic steps involved in the growth of the group ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f9b0531650bd6c27bed99a856646de37
https://doi.org/10.1021/jp305743x
https://doi.org/10.1021/jp305743x
Autor:
Krishnan Raghavachari, Benjamin C. Gamoke, Jordan P. Merz, Dennis G. Peters, Matthew P. Foley
Publikováno v:
Journal of Electroanalytical Chemistry. 660:121-126
Direct reduction of Lindane (1R,2r,3S,4R,5r,6S-hexachlorocyclohexane, 1) at carbon cathodes in dimethylformamide (DMF) containing 0.10 M tetra-n-butylammonium tetrafluoroborate (TBABF4) has been explored by means of cyclic voltammetry and controlled-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::66e4eee6029a098e218e44f66c977572
https://doi.org/10.1016/j.jelechem.2011.06.017
https://doi.org/10.1016/j.jelechem.2011.06.017
Autor:
Tracey A. Oudenhoven, Dwight A. Sweigart, Benjamin C. Gamoke, Jason S. D’Acchioli, Sang Bok Kim, Robin S. Tanke, Robert C. Badger
Publikováno v:
Organometallics. 28:418-424
The complexes [(Cp)Ru(CO)3]+ and [(Ind)Ru(CO)3]+ were subjected to chemical, electrochemical, and spectroelectrochemical investigations in an attempt to gauge their similarity to [(Cp)Fe(CO)3]+ and [(Ind)Fe(CO)3]+. While the Fe complexes exhibited re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::70827a269b9292243b029bc9bcc21561
https://doi.org/10.1021/om800767g
https://doi.org/10.1021/om800767g
Publikováno v:
Journal of chemical theory and computation. 8(12)
Cluster models representing multiple dimer rows on the Si(100) surface suffer from unfavorable and unphysical steric interactions between hydrogen link atoms. A novel composite energy method is proposed to cancel such undesirable interactions present
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9045b8bb2a6d15c4b86cf02e581ffb80
https://pubmed.ncbi.nlm.nih.gov/26593202
https://pubmed.ncbi.nlm.nih.gov/26593202
Publikováno v:
The Journal of chemical physics. 139(16)
An accurate first-principles treatment of complex systems, such as surfaces, continues to be a major challenge in computational chemistry. A popular approach to treat such systems is the use of cluster models, where a moderately sized model system is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e81d61dd76a02a12cc6e9b73bbbf75c
https://pubmed.ncbi.nlm.nih.gov/24182065
https://pubmed.ncbi.nlm.nih.gov/24182065
Publikováno v:
The journal of physical chemistry. A. 113(19)
Making use of a combination of ab initio calculated geometries, orbital energies, and orbital spatial distributions as well as experimental information about bond lengths, bond energies, vibrational frequencies, and dipole moments, the nature of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d33f1d3a6dcb58b4933c4fac0e55b8f
https://pubmed.ncbi.nlm.nih.gov/19378976
https://pubmed.ncbi.nlm.nih.gov/19378976
Autor:
Robert C. Badger, Jason S. D’Acchioli, Benjamin C. Gamoke, Sang Bok Kim, Tracey A. Oudenhoven, Dwight A. Sweigart, Robin S. Tanke
Publikováno v:
Organometallics; Jan2009, Vol. 28 Issue 2, p418-424, 7p