Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Xuelan, Wen"'
Autor:
Lin Yuan, Jingyi Zhou, Ming Zhang, Xuelan Wen, John Mark P. Martirez, Hossein Robatjazi, Linan Zhou, Emily A. Carter, Peter Nordlander, Naomi J. Halas
Publikováno v:
ACS Nano. 16:17365-17375
Plasmonic antenna-reactor photocatalysts have been shown to convert light efficiently to chemical energy. Virtually all chemical reactions mediated by such complexes to date, however, have involved relatively simple reactions that require only a sing
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eebaff3565721baf124e6513334241da
https://doi.org/10.1021/acsnano.2c08191
https://doi.org/10.1021/acsnano.2c08191
Autor:
Ian A. Tonks, T. Alexander Wheeler, Channing K. Klein, Benjamin R. Reiner, Xuelan Wen, Xin Yi See, Jason D. Goodpaster
Publikováno v:
ACS Catal
The rational design of catalysts remains a challenging endeavor within the broader chemical community owing to the myriad variables that can affect key bond-forming events. Designing selective catalysts for any reaction requires an efficient strategy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ba3db9568439d63d422f80b3f2ef219
https://doi.org/10.1021/acscatal.0c03939
https://doi.org/10.1021/acscatal.0c03939
Autor:
Christopher P. Gordon, Christophe Copéret, Ian A. Tonks, Robin P. Harkins, Jason D. Goodpaster, Evan P. Beaumier, Meghan E. McGreal, Xuelan Wen
Publikováno v:
Journal of the American Chemical Society. 142:8006-8018
Although there are myriad binding modes of heterocumulenes to metal centers, the monometallic κ2-ECE (E = O, S, NR) coordination mode has not been reported. Herein, the synthesis, isolation, and ph...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::66aac6328983960f3af08ba026925d0e
https://doi.org/10.1021/jacs.0c02487
https://doi.org/10.1021/jacs.0c02487
Autor:
Ian A. Tonks, Jason D. Goodpaster, Evan P. Beaumier, Amy A. Ott, Zachary W. Davis-Gilbert, Xuelan Wen, T. Alexander Wheeler, Joseph J. Topczewski
Publikováno v:
Chemical Science
The ring-opening oxidative amination of methylenecyclopropanes (MCPs) with diazenes catalyzed by py3TiCl2(NR) complexes is reported. This reaction selectively generates branched α-methylene imines as opposed to linear α,β-unsaturated imines, which
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87ba7d4d42b267346ae0643274dff281
https://doi.org/10.1039/d0sc01998d
https://doi.org/10.1039/d0sc01998d
Autor:
Yang Ye, Jie Yuan, Sheng Yao, Chang Qiang Ke, Jason D. Goodpaster, Xuelan Wen, Chunping Tang, Ligen Lin, Tian Zhang
Publikováno v:
Organic Chemistry Frontiers. 7:1374-1382
Tricarabrols A–C (1–3), three sesquiterpene lactone trimers, were identified from Carpesium faberi. Tricarabrols A and B are a pair of stereoisomers possessing a novel C44 skeleton featuring a methylene-tethered linkage among the sesquiterpene sc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e8ee1653c10b974f4e2514314516d0e
https://doi.org/10.1039/d0qo00093k
https://doi.org/10.1039/d0qo00093k
Publikováno v:
The Journal of chemical physics. 156(5)
We demonstrate the accuracy and efficiency of the restricted open-shell and unrestricted formulation of the absolutely localized Huzinaga projection operator embedding method. Restricted open-shell and unrestricted Huzinaga projection embedding in th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ce9393f560fb8936bb254bf3c88e8a5
https://pubmed.ncbi.nlm.nih.gov/35135248
https://pubmed.ncbi.nlm.nih.gov/35135248
We demonstrate the accuracy and efficiency of the restricted open-shell and unrestricted formulation of the absolutely localized Huzinaga projection operator embedding method. Restricted open-shell and unrestricted Huzinaga projection embedding in th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3bf96f9d36d6bcb7b1dbaded57a40437
https://doi.org/10.26434/chemrxiv-2021-cbjd2
https://doi.org/10.26434/chemrxiv-2021-cbjd2
Publikováno v:
Journal of Chemical Theory and Computation. 16:385-398
We present a quantum embedding method that allows for the calculation of local excited states embedded in a Kohn-Sham density functional theory (DFT) environment. Projection-based quantum embedding methodologies provide a rigorous framework for perfo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a247ca73997f10d272347f7012f6c75f
https://doi.org/10.1021/acs.jctc.9b00959
https://doi.org/10.1021/acs.jctc.9b00959
Autor:
Jason D. Goodpaster, Channing K. Klein, Xin Yi See, Benjamin R. Reiner, Ian A. Tonks, Xuelan Wen, T. Alexander Wheeler
Herein, we describe the use of iterative supervised principal component analysis (ISPCA) in de novo catalyst design. The regioselective synthesis of 2,5-dimethyl-1,3,4-triphenyl-1H- pyrrole (C) via Ti- catalyzed formal [2+2+1] cycloaddition of phenyl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::45c63240bcddac671556dc4b9aef394e
https://doi.org/10.26434/chemrxiv.12284378.v1
https://doi.org/10.26434/chemrxiv.12284378.v1
Autor:
Evan P, Beaumier, Christopher P, Gordon, Robin P, Harkins, Meghan E, McGreal, Xuelan, Wen, Christophe, Copéret, Jason D, Goodpaster, Ian A, Tonks
Publikováno v:
J Am Chem Soc
Although there are myriad binding modes of heterocumulenes to metal centers, the monometallic κ(2)-ECE (E = O, S, NR) coordination mode has not been reported. Herein, the synthesis, isolation, and physical characterization of Cp(2)Ti(κ(2)-(t)BuNCN(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::bc144c6502b30f16721c47feecfd2741
https://pubmed.ncbi.nlm.nih.gov/32240590
https://pubmed.ncbi.nlm.nih.gov/32240590