Zobrazeno 1 - 10
of 43
pro vyhledávání: '"Xue-Ping Chang"'
Publikováno v:
ACS Sustainable Chemistry & Engineering. 11:2139-2150
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::03c83ac65bbddd2e1cb458767eefc48f
https://doi.org/10.1021/acssuschemeng.2c05217
https://doi.org/10.1021/acssuschemeng.2c05217
Publikováno v:
Physical Chemistry Chemical Physics. 25:7669-7680
The excited-state properties and photophysics of cytosine aza-analogues, i.e., 2,4-diamino-1,3,5-triazine (2,4-DT) and 2-amino-1,3,5-triazine (2-AT) in solution have been systematically explored using the QM(MS-CASPT2//CASSCF)/MM approach.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::63acf7fce1dbfeb5b56a78f8a54bcd58
https://doi.org/10.1039/d2cp05639a
https://doi.org/10.1039/d2cp05639a
Publikováno v:
The Journal of Organic Chemistry. 87:14763-14777
This article presents simple and efficient 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-promoted Heck-type alkene perfluoroalkylation under visible light irradiation. With DBU as both a halogen bond acceptor and a base, these transformations can smoothly
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3589a2dc58bf10a8a8cfb23ed0557348
https://doi.org/10.1021/acs.joc.2c02093
https://doi.org/10.1021/acs.joc.2c02093
Autor:
Xiantao Ma, Yingying Zhu, Jing Yu, Ran Yan, Xiaoni Xie, Lijun Huang, Qi Wang, Xue-Ping Chang, Qing Xu
Publikováno v:
Organic Chemistry Frontiers. 9:3204-3214
An unprecedented water oxidation reaction by a small organic molecule is observed for the first time. This led to the facile synthesis of thioethers via Brønsted acid-catalyzed reactions of alcohols, alkenes, and alkynes with advantageous disulfides
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eee517ef8d3bfe491fc64e9b21787177
https://doi.org/10.1039/d2qo00169a
https://doi.org/10.1039/d2qo00169a
Publikováno v:
Physical Chemistry Chemical Physics. 24:27793-27803
In this work, we have used the QM(CASPT2//CASSCF)/MM approach to study the photophysical properties and relaxation mechanism of 5-azacytosine (5-AC) in aqueous solution. Based on the relevant minimum-energy structures and intersection structures, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9734a771af00d3bf97a823311b55c61f
https://doi.org/10.1039/d2cp03661d
https://doi.org/10.1039/d2cp03661d
Publikováno v:
Physical Chemistry Chemical Physics. 24:13293-13304
Herein, we have employed the QM(CASPT2//CASSCF)/MM method to explore the photophysical and photochemical mechanism of oxybenzone (OB) in methanol solution. Based on the optimized minima, conical intersections and crossing points, and minimum-energy r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2b898363b2d90a4a9c9441b103066f80
https://doi.org/10.1039/d2cp01263d
https://doi.org/10.1039/d2cp01263d
Publikováno v:
The Journal of Physical Chemistry A. 125:8816-8826
The photophysical mechanisms of tellurium-substituted uracils were studied at the multistate complete-active-space second-order perturbation level with a particular focus on how the position and number of tellurium substitutions affect their nonadiab
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f7aa00e46639901cbce0ee45a009ad07
https://doi.org/10.1021/acs.jpca.1c06169
https://doi.org/10.1021/acs.jpca.1c06169
Publikováno v:
The journal of physical chemistry. A. 126(1)
Here, we employ the CASPT2//CASSCF and QM(CASPT2//CASSCF)/MM approaches to explore the photochemical mechanism of homomenthyl salicylate (HMS) in vacuum and an acetonitrile solution. The results show that in both cases, the excited-state relaxation m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::340a309ad504d18c1345e99506ffda34
https://pubmed.ncbi.nlm.nih.gov/34963284
https://pubmed.ncbi.nlm.nih.gov/34963284
Publikováno v:
The journal of physical chemistry. A. 125(9)
Methyl salicylate (MS) as a subunit of larger salicylates found in commercial sunscreens has been shown to exhibit keto-enol tautomerization and dual fluorescence emission via excited-state intramolecular proton transfer (ESIPT) after the absorption
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7074dfc35043a5e9bec41faeb28f767e
https://pubmed.ncbi.nlm.nih.gov/33645980
https://pubmed.ncbi.nlm.nih.gov/33645980
Autor:
Qiang Pei, Qingqing Han, Fang Tang, Shijie Xu, Jinjin Wu, Mengyao Zhang, Xue-Ping Chang, Aixiang Ding
Publikováno v:
Colloids and Surfaces A: Physicochemical and Engineering Aspects. 641:128602
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d52d7b1c2292a6ee2c6d20a72808af82
https://doi.org/10.1016/j.colsurfa.2022.128602
https://doi.org/10.1016/j.colsurfa.2022.128602