Zobrazeno 1 - 10 of 718 pro vyhledávání: '"Yaoming Xie"'
1
Akademický článek
Trinuclear and Tetranuclear Ruthenium Carbonyl Nitrosyls: Oxidation of a Carbonyl Ligand by an Adjacent Nitrosyl Ligand
Autor: Shengchun Chen, Xuejun Feng, Yaoming Xie, R. Bruce King, Henry F. Schaefer
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
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2
Akademický článek
Probing the Potential Energy Profile of the I + (H2O)3 → HI + (H2O)2OH Forward and Reverse Reactions: High Level CCSD(T) Studies with Spin-Orbit Coupling Included
Autor: Xinyuan Zhang, Xiaoting Chen, Yan Lin, Yan Meng, Guoliang Li, Yaoming Xie, Henry F. Schaefer
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
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3
The highly exothermic hydrogen abstraction reaction H2Te + OH → H2O + TeH: comparison with analogous reactions for H2Se and H2S
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.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::18f6fbb104c220f6dbbe914e4b30a658
https://doi.org/10.1039/d2cp05989d
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4
Akademický článek
Tris(Butadiene) Compounds versus Butadiene Oligomerization in Second-Row Transition Metal Chemistry: Effects of Increased Ligand Fields
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
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6
An Ultra-Low Power Fast Transient LDO with Dynamic Bias
Autor: Kun Liu, Yaoming Xie, Xiaoran Li, Lei Zhang
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
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::04fc03fb1a5411b169b486a4f6ecf3fd
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7
The reaction between the bromine atom and the water trimer: high level theoretical studies
Autor: Guoliang Li, Ying Yao, Yan Lin, Yan Meng, Yaoming Xie, Henry F. Schaefer
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.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24ab92748e2e38bb3ba7541ba291daa5
https://pubmed.ncbi.nlm.nih.gov/36278301
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8
Carbene‐Stabilized Dithiolene (L 0 ) Zwitterions
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
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2633ee2ab0efa5e61c4b1dc079ecf2d6
https://doi.org/10.1002/anie.202108498
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9
Synthesis of Methanesulfonic Acid Directly from Methane: The Cation Mechanism or the Radical Mechanism?
Autor: Yucheng Hu, Henry F. Schaefer, Huidong Li, Longfei Li, Yaoming Xie
Publikováno v: The Journal of Physical Chemistry Letters. 12:6486-6491
In 2019, Diaz-Urrutia and Ott developed a high-yield method for direct conversion of methane to methanesulfonic acid and proposed a cationic chain reaction mechanism. However, Roytman and Singleton questioned this mechanism, and they favored a free-r
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::383c69ff0d16b67d4d4488f8b4fb6fdb
https://doi.org/10.1021/acs.jpclett.1c01619
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