نتایج جستجو برای: detailed reaction mechanism
تعداد نتایج: 1105602 فیلتر نتایج به سال:
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 ...
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...
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...
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...
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...
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...
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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