Zobrazeno 1 - 10
of 33
pro vyhledávání: '"Lufeng Zou"'
Publikováno v:
Organic Chemistry Frontiers. 5:615-622
Nickel-catalyzed C–H bond activation has attracted significant attention for the construction of C–C bond frameworks. We report density functional theory investigations into the mechanism of nickel-catalyzed alkylation of benzamides with alkyl ha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::42aae299ee7d4ee921df15862d42b7d5
https://doi.org/10.1039/c7qo00850c
https://doi.org/10.1039/c7qo00850c
Publikováno v:
Organometallics. 36:2107-2115
Density functional theory method N12 was used to study the mechanism of the [Ir(cod)OH]2/Xyl–MeO–BIPHEP-catalyzed para-selective C–H borylation reaction. The results revealed that the use of a bulky diphosphine ligand such as Xyl–MeO–BIPHEP
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fdfdeda9af1de512f291acdee3d72f5a
https://doi.org/10.1021/acs.organomet.7b00151
https://doi.org/10.1021/acs.organomet.7b00151
Autor:
Huimin Tao, Yong Liang, Jennifer M. Murphy, Zhuzhou Shao, Ruxin Zeng, Fang Liu, Lufeng Zou, Kendall N. Houk, Yang Cao
Publikováno v:
Chemical communications (Cambridge, England), vol 54, iss 40
Halogen substituents increase sydnone cycloaddition reactivities substantially. Fluoro-sydnones are superior to bromo- and chloro-sydnones, and can achieve extremely high second-order rate constants with strained alkynes. Computational studies have r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6734b54f98118b7fce0db71bcd53125
https://escholarship.org/uc/item/23w9z72m
https://escholarship.org/uc/item/23w9z72m
Autor:
Thomas P. Tully, Guillaume Journot, Raghunath O. Ramabhadran, Quentin Michaudel, Lufeng Zou, Alicia Regueiro-Ren, Animesh Goswami, Kendall N. Houk, Zhiwei Guo, Phil S. Baran
Publikováno v:
Angewandte Chemie. 126:12287-12292
Physicochemical properties constitute a key factor for the success of a drug candidate. Whereas many strategies to improve the physicochemical properties of small heterocycle-type leads exist, complex hydrocarbon skeletons are more challenging to der
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b9a5e40b453234d090ce412f22fca20f
https://doi.org/10.1002/ange.201407016
https://doi.org/10.1002/ange.201407016
Autor:
Yong Liang, Kendall N. Houk, Shan-Shui Meng, Xing-Bang Lin, Kou-Sen Cao, Lufeng Zou, Wen-Hua Zheng, Hui Yang
Publikováno v:
Journal of the American Chemical Society. 136:12249-12252
A highly enantioselective catalytic protocol for the desymmetrization of a wide variety of 2-substituted and 2,2-disubstituted 1,3-diols is reported. This reaction proceeds through the formation of an "ortho ester" intermediate via oxidation of 1,3-d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::89660cd27509b465151e369d82c0e336
https://doi.org/10.1021/ja507332x
https://doi.org/10.1021/ja507332x
Autor:
Kotaro Kikushima, Alexander N. Marziale, Lufeng Zou, Michele Gatti, Yu Lan, Kendall N. Houk, Brian M. Stoltz, Peng Liu, Jeffrey C. Holder
Publikováno v:
Journal of the American Chemical Society, vol 135, iss 40
Enantioselective conjugate additions of arylboronic acids to β-substituted cyclic enones have been previously reported from our laboratories. Air- and moisture-tolerant conditions were achieved with a catalyst derived in situ from palladium(II) trif
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ff17f0f76d7bd3f2a78cdaa21c20a01
https://doi.org/10.1021/ja401713g
https://doi.org/10.1021/ja401713g
Publikováno v:
Microporous and Mesoporous Materials. 112:641-646
In this letter, we presented a polymer-induced generation of anatase TiO2 hollow nanostructures. Amphiphilic polymer PEG-400 was employed for the first time to slow down the hydrolization reaction of potassium titanium oxalate and control over the cr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b9b42a8d46833e283a17a35de38bc230
https://doi.org/10.1016/j.micromeso.2007.10.034
https://doi.org/10.1016/j.micromeso.2007.10.034
Publikováno v:
Chinese Journal of Chemistry. 26:787-793
The available experimental αC-H BDEs of a variety of amine-containing molecules were examined by using the G3B3 and CBS-Q methods. The verified values were employed to benchmark and calibrate the density functional theory methods. It was found that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c11f1d67995596f682f591c045f0b338
https://doi.org/10.1002/cjoc.200890147
https://doi.org/10.1002/cjoc.200890147
Publikováno v:
Journal of Physical Organic Chemistry. 20:754-763
Experimental studies showed that sulfur radicals play the vital role in petroleum formation.1 Sulfur- centered radicals also exhibit activities in antioxidant functions. Here we conduct a theoretical investigation of their precursor-disulfides. By in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::55d8977989bb34c3add2787ef01264e8
https://doi.org/10.1002/poc.1236
https://doi.org/10.1002/poc.1236
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 807:87-92
The sulfur–sulfur bond dissociation enthalpies in 12 disulfide compounds were calculated using high-level ab initio methods including G3, G3B3, CBS-Q, CBS-4M, CCSD(T), and ROMP2. The theoretical bond dissociation enthalpies calculated by different
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f6c9629d524b822a504415f16701c2f
https://doi.org/10.1016/j.theochem.2006.12.014
https://doi.org/10.1016/j.theochem.2006.12.014