Zobrazeno 1 - 10
of 721
pro vyhledávání: '"Yaoming Xie"'
Publikováno v:
Molecules, Vol 29, Iss 17, p 4165 (2024)
Trinuclear and tetranuclear ruthenium carbonyls of the types Ru3(CO)n(NO)2, Ru3(N)(CO)n(NO), Ru3(N)2(CO)n, Ru3(N)(CO)n(NCO), Ru3(CO)n(NCO)(NO), Ru4(N)(CO)n(NO), Ru4(N)(CO)n(NCO), and Ru4(N)2(CO)n related to species observed experimentally in the chem
Externí odkaz:
https://doaj.org/article/9bc4c5bf787b4b44ab3854927fe1907e
Publikováno v:
Molecules, Vol 28, Iss 2, p 904 (2023)
Three different pathways for the atomic iodine plus water trimer reaction I + (H2O)3 → HI + (H2O)2OH were preliminarily examined by the DFT-MPW1K method. Related to previous predictions for the F/Cl/Br + (H2O)3 reactions, three pathways for the I +
Externí odkaz:
https://doaj.org/article/558b6dc0ac9b453a94f714911121693c
Autor:
Yi Zhao, Qun Chen, Mingyang He, Zhihui Zhang, Xuejun Feng, Yaoming Xie, Robert Bruce King, Henry F. Schaefer
Publikováno v:
Molecules, Vol 26, Iss 8, p 2220 (2021)
The geometries, energetics, and preferred spin states of the second-row transition metal tris(butadiene) complexes (C4H6)3M (M = Zr–Pd) and their isomers, including the experimentally known very stable molybdenum derivative (C4H6)3Mo, have been exa
Externí odkaz:
https://doaj.org/article/d0877f9c636f4713b3591f87ee32c3e1
Publikováno v:
International Journal of Molecular Sciences, Vol 12, Iss 4, Pp 2216-2231 (2011)
The highly unsaturated binuclear butadiene iron carbonyls (C4H6)2Fe2(CO)n (n = 2, 1) have been examined using density functional theory. For (C4H6)2Fe2(CO)n (n = 2, 1), both coaxial and perpendicular structures are found. The global minima of (C4H6)2
Externí odkaz:
https://doaj.org/article/af281268b18e4810b7fcf2802d13f331
Autor:
Mei Tang, Guoliang Li, Minggang Guo, Guilin Liu, Yuqian Huang, Shuqiong Zeng, Zhenwei Niu, Nina Ge, Yaoming Xie, Henry F. Schaefer
Publikováno v:
Physical Chemistry Chemical Physics. 25:6780-6789
Comparison of the potential energy surface including the ZPVE corrections of the highly exothermic hydrogen abstraction reaction H2Te + OH with the H2Se + OH, H2S + OH, and H2O + OH reactions at the CCSD(T)/5Z level.
Publikováno v:
Inorganic Chemistry. 61:3970-3980
Publikováno v:
Electronics; Volume 11; Issue 22; Pages: 3655
A low-dropout linear regulator (LDO) without external capacitors is designed, combining ultra-low power consumption and ultra-fast transient response. The common support voltage of the LDO is 2.5 V to 3.6 V with a stable output voltage of 1.2 V and a
Autor:
Yuzhong Wang, Phuong M. Tran, Yaoming Xie, Pingrong Wei, John N. Glushka, Henry F. Schaefer, Gregory H. Robinson
Publikováno v:
Angewandte Chemie International Edition. 60:22706-22710
A series of reactions between Lewis bases and an imidazole-based dithione dimer (1) has been investigated. Both cyclic(alkyl)(amino)carbene (CAAC) (2) and N-heterocyclic carbene (NHC) (4), in addition to N-heterocyclic silylene (NHSi) (6), demonstrat
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(42)
The Br + (H2O)3→ HBr + (H2O)2OH reaction has been investigated using the CCSD(T) method with the basis sets as large as cc-pVQZ(-PP). The Br + (H2O)3reaction is also compared with related Br + H2O/(H2O)2and F/Cl + (H2O)3reactions.
Autor:
Yuzhong Wang, Phuong M. Tran, Mitchell E. Lahm, Yaoming Xie, Pingrong Wei, Earle R. Adams, John N. Glushka, Zichun Ren, Vladimir V. Popik, Henry F. Schaefer, Gregory H. Robinson
Publikováno v:
Journal of the American Chemical Society. 144(36)
A carbene-stabilized dithiolene zwitterion (