Dynamics, transition states, and timing of bond formation in Diels-Alder reactions. - Wikidata - awgldk - TriplyDB

Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.

Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.

http://www.wikidata.org/entity/Q30524196

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Diels-Alder reactions of allene with benzene and butadiene: concerted, stepwise, and ambimodal transition states.Natural Diels-Alderases: Elusive and Irresistable.The Effect of Pressure on Organic Reactions in Fluids-a New Theoretical Perspective.Concert along the Edge: Dynamics and the Nature of the Border between General and Specific Acid-Base Catalysis.X-ray imaging of chemically active valence electrons during a pericyclic reaction.Dynamically Complex [6+4] and [4+2] Cycloadditions in the Biosynthesis of Spinosyn A Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry Theoretical and structural analysis of long C-C bonds in the adducts of polycyanoethylene and anthracene derivatives and their connection to the reversibility of Diels-Alder reactions.Competition between concerted and stepwise dynamics in the triplet di-π-methane rearrangement.Nitrogen doped nanographene structures; study on the adsorption of nucleobases, nucleotides, and their triphosphate derivatives using mixed docking, MD, and QM/MM approaches.How frustrated Lewis acid/base systems pass through transition-state regions: H2 cleavage by [tBu3P/B(C6F5)3].Modulation of inherent dynamical tendencies of the bisabolyl cation via preorganization in epi-isozizaene synthase.Influence of water and enzyme SpnF on the dynamics and energetics of the ambimodal [6+4]/[4+2] cycloaddition.Gas-phase reactivity of [Ca(formamide)]2+ complex: an example of different dynamical behaviours.Solvent effect on the degree of (a)synchronicity in polar Diels-Alder reactions from the perspective of the reaction force constant analysis.Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection.Investigation of (Me4 N)SCF3 as a Stable, Solid and Safe Reservoir for S=CF2 as a Surrogate for Thiophosgene.A theoretical study of the diastereoselective allylation of aldehydes with new chiral allylsilanes.Nonstatistical dynamics on the caldera.Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection

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P2860

Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.

http://www.wikidata.org/entity/Q30524196

description

2012 nî lūn-bûn

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2012 թուականի Յուլիսին հրատարակուած գիտական յօդուած

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2012年の論文

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2012年論文

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2012年論文

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2012年論文

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2012年論文

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2012年論文

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2012年论文

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Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.

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Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.

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Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.

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Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.

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Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.

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Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.

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Proceedings of the National Academy of Sciences of the United States of America

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Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.

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Charles Doubleday

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Kendall N Houk

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Kersey Black

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Lai Xu

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P2860

The roaming atom: straying from the reaction path in formaldehyde decomposition

Femtochemistry: Atomic-Scale Dynamics of the Chemical Bond Using Ultrafast Lasers (Nobel Lecture) Copyright((c)) The Nobel Foundation 2000. We thank the Nobel Foundation, Stockholm, for permission to print this lecture.

Evidence for the concerted mechanism of the Diels-Alder reaction of butadiene with ethylene.

Distortion/interaction energy control of 1,3-dipolar cycloaddition reactivity.

The Diels--Alder reaction in total synthesis.

Control elements in dynamically determined selectivity on a bifurcating surface

Recrossing and dynamic matching effects on selectivity in a Diels-Alder reaction.

A new form of kinetic isotope effect. Dynamic effects on isotopic selectivity and regioselectivity.

Dynamics of 1,3-dipolar cycloaddition reactions of diazonium betaines to acetylene and ethylene: bending vibrations facilitate reaction.

Sources of error in DFT computations of C-C bond formation thermochemistries: pi-->sigma transformations and error cancellation by DFT methods.

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