Zobrazeno 1 - 10
of 146
pro vyhledávání: '"George C, Shields"'
Autor:
Henry C. London, David Y. Pritchett, Jared A. Pienkos, Colin D. McMillen, Thomas J. Whittemore, Conor J. Bready, Alexis R. Myers, Noah C. Vieira, Shannon Harold, George C. Shields, Paul S. Wagenknecht
Publikováno v:
Inorganic Chemistry. 61:10986-10998
Autor:
Jonas Elm, Daniel Ayoubi, Morten Engsvang, Andreas Buchgraitz Jensen, Yosef Knattrup, Jakub Kubečka, Conor J. Bready, Vance R. Fowler, Shannon E. Harold, Olivia M. Longsworth, George C. Shields
Publikováno v:
WIREs Computational Molecular Science.
Autor:
Shannon E. Harold, Conor J. Bready, Leah A. Juechter, Luke A. Kurfman, Sara Vanovac, Vance R. Fowler, Grace E. Mazaleski, Tuguldur T. Odbadrakh, George C. Shields
Publikováno v:
The Journal of Physical Chemistry A. 126:1718-1728
We explored the hypothesis that on the nanoscale level, acids and bases might exhibit different behavior than in bulk solution. Our study system consisted of sulfuric acid, formic acid, ammonia, and water. We calculated highly accurate Domain-based L
Autor:
Ariel G. Gale, Thomas J. Whittemore, George C. Shields, Henry C. London, David Y. Pritchett, Alexis R. Myers, Paul S. Wagenknecht, Hannah D. Thomas, Colin D. McMillen
Publikováno v:
Inorganic Chemistry. 60:14399-14409
Complexes with ligand-to-metal charge-transfer (LMCT) excited states involving d0 metals represent a new design for photocatalysts. Herein, the photochemistry and photophysics of d0 titanocenes of the type Cp2Ti(C2R)2, where C2R = ethynylphenyl (C2Ph
Publikováno v:
The journal of physical chemistry. A. 126(31)
We present a computational investigation of the sulfuric acid, glycine, serine, ammonia, and water system to understand if this system can form prenucleation clusters, which are precursors to larger aerosols in the atmosphere. We have performed a com
Publikováno v:
The Journal of Physical Chemistry A. 125:3169-3176
The effects of atmospheric aerosols on our climate are one of the biggest uncertainties in global climate models. Calculating the pathway for the formation of pre-nucleation clusters that become ae...
Autor:
George C. Shields
Publikováno v:
Scholarship and Practice of Undergraduate Research. 3:5-15
Publikováno v:
The journal of physical chemistry. A. 125(38)
The role of atmospheric aerosols on climate change is one of the biggest uncertainties in most global climate models. Organic aerosols have been identified as potential cloud condensation nuclei (CCN), and amino acids are organic molecules that could
Autor:
Henry C, London, Thomas J, Whittemore, Ariel G, Gale, Colin D, McMillen, David Y, Pritchett, Alexis R, Myers, Hannah D, Thomas, George C, Shields, Paul S, Wagenknecht
Publikováno v:
Inorganic chemistry. 60(18)
Complexes with ligand-to-metal charge-transfer (LMCT) excited states involving d
Autor:
Luca Evangelisti, Berhane Temelso, Emilio J. Cocinero, Brooks H. Pate, Camilla Calabrese, Imanol Usabiaga, Francisco J. Basterretxea, Giacomo Prampolini, Nathan A. Seifert, George C. Shields
Publikováno v:
Addi. Archivo Digital para la Docencia y la Investigación
instname
Addi: Archivo Digital para la Docencia y la Investigación
Universidad del País Vasco
Angewandte Chemie International Edition 60 (2021): 16894–16899. doi:10.1002/anie.202103900
info:cnr-pdr/source/autori:Calabrese C.; Temelso B.; Usabiaga I.; Seifert N.A.; Basterretxea F.J.; Prampolini G.; Shields G.C.; Pate B.H.; Evangelisti L.; Cocinero E.J./titolo:The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane/doi:10.1002%2Fanie.202103900/rivista:Angewandte Chemie International Edition/anno:2021/pagina_da:16894/pagina_a:16899/intervallo_pagine:16894–16899/volume:60
Angewandte Chemie (International Ed. in English)
instname
Addi: Archivo Digital para la Docencia y la Investigación
Universidad del País Vasco
Angewandte Chemie International Edition 60 (2021): 16894–16899. doi:10.1002/anie.202103900
info:cnr-pdr/source/autori:Calabrese C.; Temelso B.; Usabiaga I.; Seifert N.A.; Basterretxea F.J.; Prampolini G.; Shields G.C.; Pate B.H.; Evangelisti L.; Cocinero E.J./titolo:The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane/doi:10.1002%2Fanie.202103900/rivista:Angewandte Chemie International Edition/anno:2021/pagina_da:16894/pagina_a:16899/intervallo_pagine:16894–16899/volume:60
Angewandte Chemie (International Ed. in English)
The role of non-covalent interactions (NCIs) has broadened with the inclusion of new types of interactions and a plethora of weak donor/acceptor partners. This work illustrates the potential of chirped-pulse Fourier transform microwave technique, whi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1384a34b1389299f32a65fc14ff3fe8d
http://hdl.handle.net/10261/329703
http://hdl.handle.net/10261/329703