Zobrazeno 1 - 3
of 3
pro vyhledávání: '"David W. Gao"'
Autor:
Ziwei Cheng, David W. Gao, Fiona M. Powers, Ricardo Navar, Juan H. Leal, Oyelayo O. Ajayi, Troy A. Semelsberger
Publikováno v:
Frontiers in Energy Research, Vol 10 (2022)
Continuous feeding, processing, and handling of biomass powders is pivotal to the economic viability of integrated biorefineries. However, current challenges associated with the operational reliability of bulk solids handling and transport greatly im
Externí odkaz:
https://doaj.org/article/44c009762c0643968739c1d82a8010cb
Autor:
Andrew E. Sifain, Sergei Tretiak, Brendan J. Gifford, Levi Lystrom, David W. Gao, Tammie Nelson
Publikováno v:
The Journal of Physical Chemistry A. 122:9403-9411
Isomerization of molecular systems is ubiquitous in chemistry and biology, and is also important for many applications. Atomistic simulations can help determine the tunable parameters influencing this process. In this paper, we use the Nonadiabatic E
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f0f58a47368295636a66708f3c4ff20e
https://doi.org/10.1021/acs.jpca.8b09103
https://doi.org/10.1021/acs.jpca.8b09103
Autor:
Alexander J. White, Josiah A. Bjorgaard, Benjamin Nebgen, Oleg V. Prezhdo, Tammie Nelson, Brendan J. Gifford, Sebastian Fernandez-Alberti, David W. Gao, Sergei Tretiak, Andrew E. Sifain, Adrian E. Roitberg
Solvation can be modeled implicitly by embedding the solute in a dielectric cavity. This approach models the induced surface charge density at the solute-solvent boundary, giving rise to extra Coulombic interactions. Herein, the Nonadiabatic EXcited-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48bad8571672f3fc09a129a0315b519d
http://pubs.acs.org/doi/10.1021/acs.jctc.8b00103
http://pubs.acs.org/doi/10.1021/acs.jctc.8b00103
