Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Kellyn M. Patros"'
Publikováno v:
Drug Discovery Today. 27:1315-1325
Solubility is a key physicochemical property for the success of any drug candidate. Although the methods used and their rationales for determining solubility are subject to project needs and stages along the drug discovery-drug development pipeline,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::734cc91c353593c850b4bd8a3dd3df86
https://doi.org/10.1016/j.drudis.2022.01.017
https://doi.org/10.1016/j.drudis.2022.01.017
Autor:
Marissa A. Dobulis, Michael C. Thompson, Kellyn M. Patros, Caroline Chick Jarrold, Thomas Sommerfeld
Publikováno v:
The Journal of Physical Chemistry A. 124:2279-2287
The anion photoelectron imaging spectra of an ion with m/z 85, generated under ion source conditions that optimize ·OH production in a co-expansion with isoprene, are presented and analyzed with supporting calculations. A spectroscopic feature obser
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::00b7e0c82f8a477337a597356f12e730
https://doi.org/10.1021/acs.jpca.0c01250
https://doi.org/10.1021/acs.jpca.0c01250
Publikováno v:
The Journal of Physical Chemistry A. 121:5459-5467
Anion photoelectron imaging was used to measure the photodetachment spectra of molecular complexes formed between O2– and a range of atmospherically relevant polar molecules, including species with a carbonyl group (acetone, formaldehyde) and alcoh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::928af3af8708f2d2bd3484a35d09eb83
https://doi.org/10.1021/acs.jpca.7b05124
https://doi.org/10.1021/acs.jpca.7b05124
Publikováno v:
Proceedings of the 74th International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::946c3d88548643a51bccce21d0daac81
https://doi.org/10.15278/isms.2019.fd07
https://doi.org/10.15278/isms.2019.fd07
Publikováno v:
The Journal of Physical Chemistry A. 120:7828-7838
The anion photoelectron imaging spectra of O2–·VOC and O4–·VOC (VOC = hexane, isoprene, benzene, and benzene-d6) complexes measured using 3.49 eV photon energy, along with the results of ab initio and density functional theory results are repor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45be1375738d4cd01527c95d122d98ca
https://doi.org/10.1021/acs.jpca.6b07107
https://doi.org/10.1021/acs.jpca.6b07107
Publikováno v:
Proceedings of the 73rd International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b82121d2d33ec835dffc9c9794717be4
https://doi.org/10.15278/isms.2018.wd10
https://doi.org/10.15278/isms.2018.wd10
Publikováno v:
Proceedings of the 73rd International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3803ed0fa4981d281d9924c1460fe076
https://doi.org/10.15278/isms.2018.wd09
https://doi.org/10.15278/isms.2018.wd09
Publikováno v:
The journal of physical chemistry. A. 121(29)
Anion photoelectron imaging was used to measure the photodetachment spectra of molecular complexes formed between O
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::03c03baea8bb07483fead984bb3b4d93
https://pubmed.ncbi.nlm.nih.gov/28671848
https://pubmed.ncbi.nlm.nih.gov/28671848
Autor:
Caroline Chick Jarrold, Marissa A. Dobulis, Jennifer E. Mann, Michael C. Thompson, Kellyn M. Patros
Publikováno v:
The Journal of Chemical Physics. 150:034302
Photoelectron imaging spectra of three alkenoxide radical anions (3-buten-1-oxide, 3-buten-2-oxide, and 2-propenoxide) are presented and analyzed with supporting results of density functional theory calculations. In all spectra, intense detachment fe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca8e56f6b36296ccabe3d4b700ce0b20
https://doi.org/10.1063/1.5064795
https://doi.org/10.1063/1.5064795
Autor:
Patros, Kellyn M., Mann, Jennifer E., Dobulis, Marissa A., Thompson, Michael C., Jarrold, Caroline Chick
Publikováno v:
Journal of Chemical Physics; 1/21/2019, Vol. 150 Issue 3, pN.PAG-N.PAG, 11p, 1 Diagram, 2 Charts, 5 Graphs