Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Vincent J. Esposito"'
Publikováno v:
The Astrophysical Journal, Vol 972, Iss 1, p 35 (2024)
New highly exothermic formation pathways incorporating both thermodynamic and kinetic control for the newly astronomically detected H _2 CNCN molecule are paired with extremely accurate quantum chemical rovibrational spectroscopic computations. The r
Externí odkaz:
https://doaj.org/article/45f21bb91f334c76b56d2c1cce43b6f8
Autor:
Laura Finazzi, Vincent J. Esposito, Julianna Palotás, Jonathan Martens, Els Peeters, Jan Cami, Giel Berden, Jos Oomens
Publikováno v:
The Astrophysical Journal, Vol 971, Iss 2, p 168 (2024)
We report experimental values for the CH stretch frequencies of the protonated fullerenes C _60 H ^+ and C _70 H ^+ . Anharmonic frequency calculations at the B3LYP/6-31G level of theory, which are independent of empirical scaling factors, reproduce
Externí odkaz:
https://doaj.org/article/ccbcf334705f459f8c2b84faf46432fa
Publikováno v:
The Astrophysical Journal, Vol 961, Iss 2, p 184 (2024)
With the recent radioastronomical detection of cis-trans- carbonic acid (H _2 CO _3 ) in a molecular cloud toward the Galactic center, the more stable but currently unobserved cis-cis conformer is shown here to have strong IR features. While the high
Externí odkaz:
https://doaj.org/article/a05723a1ac7d4336986c690618b284f1
Publikováno v:
The Astrophysical Journal, Vol 949, Iss 2, p 55 (2023)
We obtained accurate vibrational frequencies, rotational constants, and vertical transition energy for AlNH _2 (X ^1 A _1 ) and HAlNH(X ^1 A′) isomers using ab initio calculations at various levels of theory. These two isomers are potential candida
Externí odkaz:
https://doaj.org/article/591ff1be1976403ba60fa6ab95c4873e
Autor:
Krzysztof W. Fornalski, Mervyn Cohen, Jerry M. Cuttler, Ludwik Dobrzyński, Mohan Doss, Vincent J. Esposito, Ludwig E. Feinendegen, Alan Fellman, Mark L. Miller, Jane Orient, Charles W. Pennington, Kanokporn N. Rithidech, Bill Sacks, Charles L. Sanders, Bobby R. Scott, Jeffry A. Siegel, Yehoshua Socol, James Welsh
Publikováno v:
Dose-Response, Vol 12 (2014)
Externí odkaz:
https://doaj.org/article/85840b93c34940889fd5091a4b26e81a
Publikováno v:
Physical Chemistry Chemical Physics. 24:532-540
Criegee intermediates are of great significance to Earth's troposphere - implicated in altering the tropospheric oxidation cycle and in forming low volatility products that typically condense to form secondary organic aerosols (SOAs). As such, their
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::30e0250280bfe7d3f7555c6628dc3968
https://doi.org/10.1039/d1cp02601a
https://doi.org/10.1039/d1cp02601a
Publikováno v:
Photochemistry and Photobiology. 98:763-772
Criegee intermediates make up a class of molecules that are of significant atmospheric importance. Understanding their electronically excited states guides experimental detection and provides insight into whether solar photolysis plays a role in thei
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8cd5dadae04acf168a677e31c6d60448
https://doi.org/10.1111/php.13560
https://doi.org/10.1111/php.13560
Autor:
Tianlin Liu, Adriana Caracciolo, Barbara Marchetti, Michael F. Vansco, Guanghan Wang, Marsha I. Lester, Tolga N. V. Karsili, Vincent J. Esposito
Publikováno v:
The Journal of Physical Chemistry A. 125:6571-6579
UV excitation of the CH2OO Criegee intermediate across most of the broad span of the (B 1A')-(X 1A') spectrum results in prompt dissociation to two energetically accessible asymptotes: O (1D) + H2CO (X 1A1) and O (3P) + H2CO (a 3A''). Dissociation pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::923d408fce78f61b8444c53e57106039
https://doi.org/10.1021/acs.jpca.1c03643
https://doi.org/10.1021/acs.jpca.1c03643
Autor:
Anne S. Hansen, Yujie Qian, Christopher A. Sojdak, Marisa C. Kozlowski, Vincent J. Esposito, Joseph S. Francisco, Stephen J. Klippenstein, Marsha I. Lester
A novel allylic 1,6 hydrogen-atom-transfer mechanism is established through infrared activation of the 2-butenal oxide Criegee intermediate, resulting in very rapid unimolecular decay to hydroxyl (OH) radical products. A new precursor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62125bfc88b9878b2364383979695893
Autor:
Bo, Lu, Tarek, Trabelsi, Vincent J, Esposito, Ryan C, Fortenberry, Joseph S, Francisco, Xiaoqing, Zeng
Publikováno v:
The journal of physical chemistry. A. 125(50)
Sulfur-containing radicals HSO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::cf73ab9cb455b03adfbc82db7d5c4e8d
https://pubmed.ncbi.nlm.nih.gov/34890193
https://pubmed.ncbi.nlm.nih.gov/34890193