Zobrazeno 1 - 10
of 15
pro vyhledávání: '"35"'
Publikováno v:
Journal of the American Chemical Society. 114:1743-1749
pH-rate profiles, primary kinetic isotope effects, deuterium substitution patterns, and pH-product ratios in the presence of added nucleophiles provide evidence for the following overlapping set of mechanisms for the hydrolysis of methanesulfonyl chl
Publikováno v:
Journal of the American Chemical Society. 131:9892-9893
For a direct quantitative investigation of the Csp(2)-Csp(2) reductive elimination rate within a catalytic cycle, a novel oxidative coupling system in the presence of a Ni catalyst and desyl chloride as the oxidant is devised. The reaction progress p
Publikováno v:
Journal of the American Chemical Society
140 (2018): 17702–17710. doi:10.1021/jacs.8b10499
info:cnr-pdr/source/autori:An, Qi; Shen, Yidi; Fortunelli, Alessandro; Goddard, William A., III/titolo:QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis/doi:10.1021%2Fjacs.8b10499/rivista:Journal of the American Chemical Society (Print)/anno:2018/pagina_da:17702/pagina_a:17710/intervallo_pagine:17702–17710/volume:140
140 (2018): 17702–17710. doi:10.1021/jacs.8b10499
info:cnr-pdr/source/autori:An, Qi; Shen, Yidi; Fortunelli, Alessandro; Goddard, William A., III/titolo:QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis/doi:10.1021%2Fjacs.8b10499/rivista:Journal of the American Chemical Society (Print)/anno:2018/pagina_da:17702/pagina_a:17710/intervallo_pagine:17702–17710/volume:140
We propose and test a hierarchical high-throughput screening (HHTS) approach to catalyst design for complex catalytic reaction systems that is based on quantum mechanics (QM) derived full reaction networks with QM rate constants but simplified to exa
Autor:
Nina P. Gritsan, William L. Karney, Zhendong Zhu, Dean Tigelaar, Christopher M. Hadad, Matthew S. Platz, Anna D. Gudmundsdottir
Publikováno v:
Journal of the American Chemical Society. 123:1951-1962
Laser flash photolysis (LFP, Nd:YAG laser, 35 ps, 266 nm, 10 mJ or KrF excimer laser, 10 ns, 249 nm, 50 mJ) of 2-fluoro, 4-fluoro, 3,5-difluoro, 2,6-difluoro, and 2,3,4,5,6-pentafluorophenyl azides produces the corresponding singlet nitrenes. The sin
Publikováno v:
Journal of the American Chemical Society. 122:6357-6363
A high-throughput technique for elucidating Hammett relationships on solid supports and its application to the comparison of various commercially available solid supports is reported. Specifically, we report the use of competition experiments to deri
Publikováno v:
Journal of the American Chemical Society. 122:1008-1014
Tryptophan indole-lyase from Escherichia coli catalyzes the reversible cleavage of l-tryptophan to indole and ammonium pyruvate. This reaction is mechanistically interesting since it involves the elimination of an aromatic carbon leaving group. We ha
Autor:
R. W. Nagorski, John P. Richard
Publikováno v:
Journal of the American Chemical Society. 121:4763-4770
The lyoxide ion catalyzed intramolecular aldol addition reaction of 2-(2-oxopropyl)benzaldehyde (1) to give the aldol adduct 3 proceeds via essentially irreversible formation of the acetone-like enolate intermediate 2, because reprotonation of 2 by a
Publikováno v:
Journal of the American Chemical Society. 121:1202-1207
Laser flash photolysis (LFP, Nd:YAG laser, 35 ps, 266 nm, 10 mJ) of phenyl azide (PA) releases open-shell singlet phenylnitrene (1PN). 1PN has a sharp absorption band at 350 nm and a very weak absorption band at 540 nm. These bands are assigned as nz
Publikováno v:
Journal of the American Chemical Society. 120:4430-4438
Laser flash photolysis (Nd:YAG laser, 355 nm, 35 mJ, 150 ps) of dimethyldiazirine and dimethyldiazirine-d6 produces dimethylcarbene (DMC) and dimethylcarbene-d6 (DMC-d6), respectively. The carbenes were trapped with pyridine to form ylides which abso
Publikováno v:
Journal of the American Chemical Society. 119:3853-3860
Recent kinetic measurements of the oxidation of linoleic acid by soybean lipoxygenase show that the thermal rate constants, kH ) 280 ((12) s -1 and kD ) 5.0 ((0.1) s -1 , are weakly temperature dependent within the temperature interval 30-50 °C. The