Some applications of the transition state method to the calculation of reaction velocities, especially in solution
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How Did the Tree of Knowledge Get Its Blossom? The Rise of Physical and Theoretical Chemistry, with an Eye on Berlin and LeipzigModeling nonequilibrium dynamics of phase transitions at the nanoscale: Application to spin-crossover.Quantum reaction boundary to mediate reactions in laser fields.Xanthones as antioxidants: a theoretical study on the thermodynamics and kinetics of the single electron transfer mechanism.High density amorphous ice at room temperatureImpaired protein conformational landscapes as revealed in anomalous Arrhenius prefactorsSkirting the transition state, a new paradigm in reaction rate theory.Ab initio dynamics of the cytochrome P450 hydroxylation reactionThe effect of leaving radical on the formation of tetrahydroselenophene by SHi ring closure: an experimental and computational study.Dynamical hierarchy in transition states: why and how does a system climb over the mountain?Rate theories for biologistsPhotodriven heterogeneous charge transfer with transition-metal compounds anchored to TiO2 semiconductor surfaces.Observation time scale, free-energy landscapes, and molecular symmetry.CO oxidation as a prototypical reaction for heterogeneous processes.On the free radical scavenging activities of melatonin's metabolites, AFMK and AMK.Toward full simulation of the electrochemical oxygen reduction reaction on Pt using first-principles and kinetic calculations.Acceleration of saddle-point searches with machine learning.Theoretical volume profiles for conformational changes: Application to internal rotation of benzene ring in 1,12-dimethoxy-[12]-paracyclophane.Oxidative addition of the C-I bond on aluminum nanoclusters.Michael Polanyi: Patriarch of Chemical Dynamics and Tacit Knowing.The Effect of Pressure on Organic Reactions in Fluids-a New Theoretical Perspective.Phase space geometry of dynamics passing through saddle coupled with spatial rotation.Computational studies on the reactivity of alkyl halides over (Al2O3)n nanoclusters: an approach towards room temperature dehydrohalogenation.Analytical approach for collective diffusion: One-dimensional heterogeneous lattice.Spectroscopic characterization of isomerization transition states.Finding pathways between distant local minima.Free-radical scavenging by tryptophan and its metabolites through electron transfer based processes.On the radical nature of iron-catalyzed cross-coupling reactions.From structure to structural dynamics: Ahmed Zewail's legacy.A DFT study of permanganate oxidation of toluene and its ortho-nitroderivativesEnergy landscapes of planar colloidal clusters.Mechanistic aspects of hydrogen abstraction for phenolic antioxidants. Electronic structure and topological electron density analysis.Chemical reactivity: Inverse solvent design.Molecular dynamics calculation of molecular volumes and volumes of activation.Theoretical study of the hydrogen abstraction from vitamin-E analogues. The usefulness of DFT descriptors.Quadruple π stack of two perylene bisimide tweezers: a bimolecular complex with kinetic stability.A physicochemical examination of the free radical scavenging activity of Trolox: mechanism, kinetics and influence of the environment.Intramolecular energy transfer and the driving mechanisms for large-amplitude collective motions of clusters.Rate constants from the reaction path Hamiltonian. I. Reactive flux simulations for dynamically correct rates.Analytical approach for collective diffusion: one-dimensional homogeneous lattice.
P2860
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P2860
Some applications of the transition state method to the calculation of reaction velocities, especially in solution
description
1935 nî lūn-bûn
@nan
1935 թուականին հրատարակուած գիտական յօդուած
@hyw
1935 թվականին հրատարակված գիտական հոդված
@hy
1935年の論文
@ja
1935年論文
@yue
1935年論文
@zh-hant
1935年論文
@zh-hk
1935年論文
@zh-mo
1935年論文
@zh-tw
1935年论文
@wuu
name
Some applications of the trans ...... cities, especially in solution
@ast
Some applications of the trans ...... cities, especially in solution
@en
type
label
Some applications of the trans ...... cities, especially in solution
@ast
Some applications of the trans ...... cities, especially in solution
@en
prefLabel
Some applications of the trans ...... cities, especially in solution
@ast
Some applications of the trans ...... cities, especially in solution
@en
P356
P1476
Some applications of the trans ...... cities, especially in solution
@en
P2093
M. G. Evans
M. Polanyi
P356
10.1039/TF9353100875
P577
1935-01-01T00:00:00Z