Zobrazeno 1 - 10
of 74
pro vyhledávání: '"Charles Doubleday"'
Publikováno v:
Journal of the American Chemical Society. 144:7646-7656
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d404d49915f23705a0641da7a5e1a41
https://doi.org/10.1021/jacs.1c11981
https://doi.org/10.1021/jacs.1c11981
Publikováno v:
Angewandte Chemie. 129:13279-13282
Multidimensional tunneling calculations are carried out for 13 reactions, to test the scope of heavy-atom tunneling in organic chemistry, and to check the accuracy of one-dimensional tunneling models. The reactions include pericyclic, cycloaromatizat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6681b296a2f68f000269acef26fe553d
https://doi.org/10.1002/ange.201708489
https://doi.org/10.1002/ange.201708489
Publikováno v:
Tetrahedron. 72:7357-7373
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5373ca3bef938fbf6c406f89201a7079
https://doi.org/10.1016/j.tet.2016.09.029
https://doi.org/10.1016/j.tet.2016.09.029
Autor:
Charles Doubleday
Publikováno v:
Applied Theoretical Organic Chemistry
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::025cacfa19ec5dbaefc3437fee460e26
https://doi.org/10.1142/9781786344090_0012
https://doi.org/10.1142/9781786344090_0012
Autor:
Hung-wen Liu, Yanwei Li, Byung Sun Jeon, Ashay Patel, Jiyong Park, David H. Russell, Peiyuan Yu, Zhongyue Yang, Charles Doubleday, Song Yang, Kendall N. Houk, William K. Russell
Publikováno v:
Proceedings of the National Academy of Sciences. 115
SpnF is the first monofunctional Diels-Alder/[6+4]-ase that catalyzes a reaction leading to both Diels-Alder and [6+4] adducts through a single transition state. The environment-perturbed transition-state sampling method has been developed to calcula
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7de595f1972fbb10820897201e59146c
https://doi.org/10.1073/pnas.1719368115
https://doi.org/10.1073/pnas.1719368115
Publikováno v:
Journal of the American Chemical Society. 137:4749-4758
The cycloadditions of tetrazines with cyclopropenes and other strained alkenes have become among the most valuable bioorthogonal reactions. These reactions lead to bicyclic Diels-Alder adducts that spontaneously lose N2. We report quantum mechanical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b337bac34c2c51519ba74d3bd87a04f
https://doi.org/10.1021/jacs.5b00014
https://doi.org/10.1021/jacs.5b00014
Publikováno v:
Proceedings of the National Academy of Sciences. 112:4218-4220
Hydrogen atom transfer reactions between the aldose and ketose are key mechanistic features in formose chemistry by which formaldehyde is converted to higher sugars under credible prebiotic conditions. For one of these transformations, we have invest
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6e83beac11c36648a4006461b344fe8d
https://doi.org/10.1073/pnas.1503739112
https://doi.org/10.1073/pnas.1503739112
Publikováno v:
ChemInform. 47
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6efdb5b6a9e7b5a9be7570bf47b9788b
https://doi.org/10.1002/chin.201649260
https://doi.org/10.1002/chin.201649260
Publikováno v:
Journal of the American Chemical Society. 138(24)
An unusual H/D kinetic isotope effect (KIE) is described, in which isotopic selectivity arises primarily from nonstatistical dynamics in the product. In DFT-based quasiclassical trajectories of Bergman cyclization of (Z)-3-hexen-1,5-diyne (1) at 470
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f603e0ceb6a40557bb914efa75822596
https://pubmed.ncbi.nlm.nih.gov/27281683
https://pubmed.ncbi.nlm.nih.gov/27281683
Autor:
Charles Doubleday, Dina C. Merrer
Publikováno v:
Journal of Physical Organic Chemistry. 24:947-951
The addition of dichlorocarbene to cyclopropene has been studied with direct dynamics quasiclassical trajectories using B3LYP/6-31G*. The trajectories yielded 1,1-dichlorobicyclo[1.1.0]butane and 1,1-dichloro-1,3-butadiene in a ratio of 4.7:1, which
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::571bc9daa50385fad5d891ecb52ccd0a
https://doi.org/10.1002/poc.1883
https://doi.org/10.1002/poc.1883