Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Cal Hargis"'
Publikováno v:
Journal of Physical Organic Chemistry. 35
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::80ba58c8eafa23596c16628758c9c694
https://doi.org/10.1002/poc.4405
https://doi.org/10.1002/poc.4405
Autor:
Daniel H. Ess, Cal Hargis, Spencer Yu, Benjamin O. Grant, Matthew S. Teynor, Ryan Carlsen, R. Spencer Hamilton, Steven M. Maley, Jesse Melville
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(21)
Quasiclassical trajectory analysis is now a standard tool to analyze non-minimum energy pathway motion of organic reactions. However, due to the large amount of information associated with trajectories, quantitative analysis of the dynamic origin of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38c71b2c19f5f9642e3f5d8c03c3a870
https://pubmed.ncbi.nlm.nih.gov/34018524
https://pubmed.ncbi.nlm.nih.gov/34018524
Autor:
Steven M. Maley, Cal Hargis, Reid Hamilton, Spencer Yu, Daniel H. Ess, Benjamin D. Grant, Matthew S. Teynor, Jesse Melville
Transition-state features from trajectories were used for supervised machine learning analysis of the cyclopropyl radical ring opening reaction. Quantitative and qualitative assessment of features controlling disrotatory IRC versus conrotatory non-IR
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3dd9abecc0e368f467959ab258431b11
https://doi.org/10.26434/chemrxiv.13750414.v1
https://doi.org/10.26434/chemrxiv.13750414.v1
