A Gaussian-2 Study of Some Water-Catalyzed Reactions

Li Wai-Kee

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A Gaussian-2 Study of Some Water-Catalyzed Reactions

机译：一些水催化反应的高斯2研究

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The Gaussian-2 computational method has been applied to study the following two reactions: (1) dihydrogen exchange between methanol and formaldehyde, and (2) hydrogen transfer in formic acid. In the investigation of these two reactions,...

机译：Gaussian-2计算方法已用于研究以下两个反应：（1）甲醇与甲醛之间的二氢交换，以及（2）甲酸中的氢转移。在调查这两个反应时，...

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《Croatica chemica acta》 |1998年第3期|共页
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Li Wai-Kee;
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中图分类化学;
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入库时间 2022-08-18 07:02:31

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1. A Gaussian-2 Study of Some Water-Catalyzed Reactions [J] . Wai-Kee Li Croatica Chemica Acta . 1998,第3期

机译：某些水催化反应的高斯2研究
2. A Theoretical Study of the Mechanism of the Water-Catalyzed HC1 Elimination Reactions of CHXCl(OH) (X=H,Cl) and HC1CO in the Gas Phase and in Aqueous Solution [J] . David Lee Phillips, Cunyuan Zhao, Dongqi Wang The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2005,第42期

机译：气相和水溶液中CHXCl（OH）（X = H，Cl）和HCl的水催化HC1消除反应机理的理论研究
3. A Gaussian-2 study on the structures, energetics, and reactions of C_2H_3S~- anions [J] . S.-W. Chiu, Chi-Lun Li, Wai-Kee Li Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2004,第1a3期

机译：高斯2对C_2H_3S〜-阴离子的结构，能级和反应的研究
4. Study of microwave effects for reactions; microwave affected reaction molecules selectively for an enzymatic reaction [C] . Izuru Nagashima, Tomomi Sakuta, Jun-Ichi Sugiyama, Progress In Electromagnetic Research Symposium . 2016

机译：研究微波对反应的影响；微波影响的反应分子选择性地进行酶促反应
5. I. Synthetic and mechanistic studies of a vanadium-catalyzed enantioselective oxidation of di-tert-butyl-disulfide. II. Synthetic and mechanistic studies of strained heterocycle opening reactions and nitro and nitroso metathesis reactions mediated by zirconium(IV) imido complexes. [D] . Blum, Suzanne Amy. 2004

机译：一，钒催化二硫化二叔丁基的对映选择性氧化的合成和机理研究。二。锆（IV）亚氨基配合物介导的应变杂环开放反应以及亚硝基和亚硝基复分解反应的合成和机理研究。
6. The gas phase reaction of singlet dioxygen with water: A water-catalyzed mechanism [O] . Xin Xu, Richard P. Muller, William A. Goddard III 2002

机译：单线态双氧与水的气相反应：水催化机理
7. Could Chemical Reaction at the Molecular Level Show Distinction between Two Liquid-Water States? Study of the Excited-State Water-Catalyzed Proton Transfer Reaction Provides a Clue [O] . -1

机译：分子水平的化学反应可以显示两个液态水位之间的区别吗？对兴奋状态的水催化质子转移反应的研究提供了线索
8. GAUSSIAN-2 and Density Functional Studies of H2N-NO2 Dissociation, Inversion, andIsomerization. (Reannouncement with New Availability Information) [R] . Seminario, J. M., Politzer, P. 1992

机译：GaUssIaN-2和H2N-NO2解离，反转和异构化的密度泛函研究。（重新公布新的可用性信息）

A Gaussian-2 Study of Some Water-Catalyzed Reactions

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