Výsledky vyhledávání - "Tong-Yin Jin"

Crystal structure of (Z)-4-[(p-tolylamino)(furan-2-yl)methylene]-3-phenyl-1-1-p-tolyl-1H-phenyl-1H-pyrazol-5(4H)-one, C28H23N3O2

Autor: Wei Wei, Qiong Wu, Tong-Yin Jin, Ya-Zhai Zhang, Zhao-Kun Xuan, Heng-Qiang Zhang

Publikováno v: Zeitschrift für Kristallographie - New Crystal Structures. 237:527-529

C28H23N3O2, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.6590(7) Å, b = 11.8598(12) Å, c = 12.4954(14) Å, α = 92.027(9)°, β = 99.837(9)°, γ = 93.597(8)°, V = 1114.9(2) Å3, Z = 2, R gt (F) = 0.0508, wR ref (F 2) = 0.1317, T = 293(2) K.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7f440615b059905a721c47813f31a396
https://doi.org/10.1515/ncrs-2022-0086

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Crystal structure of (Z)-4-(furan-2-yl((4-iodophenyl)amino)methylene)-5-methyl-2(p-tolyl)-2,4-dihydro-3H-pyrazol-3-one, C21H16I N3O2

Autor: Zhang Li, Wu Qiong, Tong-Yin Jin, Ya-Zhai Zhang, Xiao-Zhong Wang, Heng-Qiang Zhang

Publikováno v: Zeitschrift für Kristallographie - New Crystal Structures. 237:467-469

C21H16I N3O2, monoclinic, P21/c (no. 14), a = 12.7439(9) Å, b = 11.8391(8) Å, c = 13.4459(7) Å, β = 99.803(5)°, V = 1999.0(2) Å3, Z = 4, R gt (F) = 0.0365, wR ref (F 2) = 0.0905, T = 293(2) K.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4fc3d86403a81050bdef7052490230f1
https://doi.org/10.1515/ncrs-2022-0077

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MECHANISM AND KINETICS OF THE CH3CH2C(O)OCH2CH3 + OH REACTION: A THEORETICAL STUDY

Autor: Cong Hou, Yong-Xia Wang, Cheng-Gang Ci, Tong-Yin Jin, Jing-Yao Lium

Publikováno v: Journal of Theoretical and Computational Chemistry. 10:691-709

The hydrogen abstraction reaction of CH 3 CH 2 C(O)OCH 2 CH 3 + OH has been studied theoretically by dual-level direct dynamics method. Six H-abstraction channels were found for this reaction. The required potential energy surface information for the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::38862da8f12a57c18369b7da3a2d3fe0
https://doi.org/10.1142/s0219633611006736

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Theoretical study for the CH3OCF2CF2OCHO + Cl reaction

Autor: Cheng-gang Ci, Hong-bo Yu, Jing-yao Liu, Tong-yin Jin

Publikováno v: Theoretical Chemistry Accounts. 131

The reaction of CH3OCF2CF2OCHO with Cl atom has been investigated theoretically by direct dynamics method. The BB1K hybrid functional in conjunction with the 6-31 + G(d,p) basis set has been used to optimize the geometries for the stationary points a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::72fd95529a88064cab313395f20a87f3
https://doi.org/10.1007/s00214-012-1119-9

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