Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Tuguldur T. Odbadrakh"'
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::289311228974088bb92348622222d5f5
https://doi.org/10.1021/acs.jpca.1c10754
https://doi.org/10.1021/acs.jpca.1c10754
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1b0c84b62fa9f226d8d8c3326a2c05f
https://pubmed.ncbi.nlm.nih.gov/35896016
https://pubmed.ncbi.nlm.nih.gov/35896016
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...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f49167f300ff709525944fb3a4b4ccb5
https://doi.org/10.1021/acs.jpca.1c00872
https://doi.org/10.1021/acs.jpca.1c00872
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5f89a0f23e9392c4e320e2b94f67b3db
https://pubmed.ncbi.nlm.nih.gov/34529444
https://pubmed.ncbi.nlm.nih.gov/34529444
Publikováno v:
International Journal of Quantum Chemistry. 120
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::876be75b06b294785ae3a3b30973cd48
https://doi.org/10.1002/qua.26469
https://doi.org/10.1002/qua.26469
Autor:
Tuguldur T. Odbadrakh, George C. Shields, Angelina Leonardi, Heather Marie Ricker, Juan G. Navea, Benjamin T. Ball, Ariel G. Gale
Publikováno v:
International Journal of Quantum Chemistry. 120
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3b1819cc7b6f12bd26287aa2337f81dc
https://doi.org/10.1002/qua.26350
https://doi.org/10.1002/qua.26350
Publikováno v:
The journal of physical chemistry. A. 124(20)
The emergence of life on the prebiotic Earth must have involved the formation of polypeptides, yet the polymerization of amino acids is thermodynamically unfavorable under biologically relevant aqueous conditions because amino acids are zwitterions i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::588af0cdf99dbf1dbb34971b1902e51b
https://pubmed.ncbi.nlm.nih.gov/32348131
https://pubmed.ncbi.nlm.nih.gov/32348131
Publikováno v:
Journal of visualized experiments : JoVE. (158)
The computational study of the formation and growth of atmospheric aerosols requires an accurate Gibbs free energy surface, which can be obtained from gas phase electronic structure and vibrational frequency calculations. These quantities are valid f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::7137f392e935f2a5f4af99115f319e9e
https://pubmed.ncbi.nlm.nih.gov/32338653
https://pubmed.ncbi.nlm.nih.gov/32338653
Publikováno v:
Journal of Visualized Experiments.
The computational study of the formation and growth of atmospheric aerosols requires an accurate Gibbs free energy surface, which can be obtained from gas phase electronic structure and vibrational frequency calculations. These quantities are valid f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::692b9aaca42cfcec5147d93069e9e66f
https://doi.org/10.3791/60964
https://doi.org/10.3791/60964
Autor:
Joseph A. Fournier, Knut R. Asmis, Matias Ruben Fagiani, Laura C. Dzugan, Harald Knorke, Mark A. Johnson, Anne B. McCoy, Tuguldur T. Odbadrakh, Kenneth D. Jordan, Conrad T. Wolke
Publikováno v:
Science. 354:1131-1135
The Grotthuss mechanism explains the anomalously high proton mobility in water as a sequence of proton transfers along a hydrogen-bonded (H-bonded) network. However, the vibrational spectroscopic signatures of this process are masked by the diffuse n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4707b4e9adbdfcb03939061703c57991
https://doi.org/10.1126/science.aaf8425
https://doi.org/10.1126/science.aaf8425