Zobrazeno 1 - 10
of 258
pro vyhledávání: '"Michael F. Doherty"'
Publikováno v:
ACS Central Science, Vol 3, Iss 7, Pp 726-733 (2017)
Externí odkaz:
https://doaj.org/article/91c8c38628134b0daef4da35157d46ff
Autor:
Sin Kim Tang, James F. B. Black, Simon N. Black, Aurora J. Cruz-Cabeza, Roger J. Davey, Michael F. Doherty, Benjamin P. A. Gabriele
Publikováno v:
Crystal Growth & Design. 23:1786-1797
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b550c42438416d7e5c3d8f64b6b27014
https://doi.org/10.1021/acs.cgd.2c01293
https://doi.org/10.1021/acs.cgd.2c01293
Autor:
Michael F. Doherty, Tobias Mazal
Publikováno v:
Crystal Growth & Design. 23:369-379
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bcffa966a0e4d89c2e911bd5a0f6712f
https://doi.org/10.1021/acs.cgd.2c01051
https://doi.org/10.1021/acs.cgd.2c01051
Publikováno v:
AIChE Journal.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fafdd35b9f95fd528782a094944cbf28
https://doi.org/10.1002/aic.18103
https://doi.org/10.1002/aic.18103
Simple Accurate Nonequilibrium Step Velocity Model for Crystal Growth of Symmetric Organic Molecules
Autor:
Michael F. Doherty, Neha Padwal
Publikováno v:
Crystal Growth & Design. 22:3656-3661
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8e9421fa8eee9a46042b18cb39a083d2
https://doi.org/10.1021/acs.cgd.1c01366
https://doi.org/10.1021/acs.cgd.1c01366
Publikováno v:
Crystal Growth & Design. 21:4871-4877
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::afcaa9768a88695c0bcb66b470104352
https://doi.org/10.1021/acs.cgd.1c00195
https://doi.org/10.1021/acs.cgd.1c00195
Publikováno v:
Science (New York, N.Y.). 377(6602)
Two models describe solvent transport through swollen, nonporous membranes. The pore-flow model, based on fluid mechanics, works for porous membranes, whereas the solution-diffusion model invokes molecular diffusion to treat nonporous membranes. Both
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::092be2e2083a5807acc7dd9b0425e3d4
https://pubmed.ncbi.nlm.nih.gov/35857555
https://pubmed.ncbi.nlm.nih.gov/35857555
Autor:
Michael F. Doherty, Rachel A. Segalman
Publikováno v:
Annual review of chemical and biomolecular engineering. 13
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d35d47ebdff0f8801ab45a0b0be9202
https://pubmed.ncbi.nlm.nih.gov/35700526
https://pubmed.ncbi.nlm.nih.gov/35700526
Publikováno v:
Journal of Computer-Aided Molecular Design. 34:641-646
The decoupling approach to solvation free energy calculations requires scaling the interactions between the solute and the solution with all intramolecular interactions preserved. This paper reports a new procedure that makes it possible to these cal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d269a85daac5e57c4b367004433b7d4
https://doi.org/10.1007/s10822-020-00303-3
https://doi.org/10.1007/s10822-020-00303-3
This work uses a dual absolute chemical potential route with a centroid reference for the dissolved molecules and an Einstein crystal reference for the solid. We use these calculations to predict the vapour pressure, solubility limit, and chemical po
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42bc7053d11ea9dc464322f42b0ed9bc
