نتایج جستجو برای: detailed reaction mechanism

تعداد نتایج: 1105602  

2014
David R. Parrish

Organic chemist, born 1926 (Budapest, Hungary). Ph.D. (Technical Sciences) Technical University, Budapest, 1950. MS, Technical University, Budapest,1947. Assistant Professor Technical University, Budapest, Hungary 1948-1957. Research scientist Princeton University, Princeton, NJ 1957-1960; Hoffmann-La Roche, Inc. Nutley, NJ 1960-1970; University of Vermont, Burlington, VT 1972-1973; University ...

Journal: :Current Opinion in Electrochemistry 2021

The rational design of better electrocatalysts for the oxidation C1–C2 organic molecules requires detailed knowledge their mechanism. Pt single crystals are powerful tools to study, in a simple way, surface structure effect on different reaction pathways. Here, mechanism these is compared so that gained with simpler transferred analysis more complex ones. goal strategies platinum electrodes imp...

Journal: :TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series B 2004

This paper presents a new robotic mechanism for ultrasound imaging. The device is placed on a patient's body by an operator, and an ultrasound expert controls the motions of the device to obtain ultrasound images. The paper focuses on the robotic mechanism that performs ultrasound imaging. The design of the mechanism is based on two approaches to produce center of motion for an ultrasound probe...

Journal: :Chirality 2013
Hui Sun Xinqiang Fang Yonggui Robin Chi Guohui Li

Growing attention in developing new N-heterocyclic carbene (NHC)-mediated reactions involving homoenolate intermediates has prompted our interest in exploring the mechanistic details of the related reactions. In this work, we carried out a detailed theoretical study for the NHC-catalyzed annulation reaction of cinnamaldehyde (A) and benzodi(enone) (B) in the presence of 1,8-diazabicyclo[5.4.0]u...

2016
N. Sikalo O. Hasemann C. Schulz A. Kempf I. Wlokas

This paper describes an automatic method for the optimization of reaction rate constants of reduced reaction mechanisms. The optimization technique is based on a genetic algorithm that aims at finding new reaction rate coefficients that minimize the error introduced by the preceding reduction process. The error is defined by an objective function that covers regions of interest where the reduce...

Journal: :The Journal of chemical physics 2008
Yu-Ju Lu Lance Lee Jun-Wei Pan Tingxian Xie Henryk A Witek Jim J Lin

A detailed experimental and theoretical investigation of the first-reported barrierless reaction between two closed-shell molecules [J. Chem. Phys. 127, 101101 (2007)] is presented. The translational energy and angular distributions of two product channels, HF+CH(2)SFCH(3) and F+CH(3)SFCH(3), determined at several collision energies, have been analyzed to reveal the dynamics of the studied reac...

2015
Javed Hussain Egill Skúlason Hannes Jónsson

A detailed understanding of the mechanism of electrochemical reduction of CO2 to form hydrocarbons can help design improved catalysts for this important reaction. Density functional theory calculations were used here to model the various elementary steps in this reaction on transition metal surfaces, in particular Cu(111) and Pt(111). The minimum energy paths for sequential protonation by eithe...

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