Quantum mechanical investigations of organocatalysis: mechanisms, reactivities, and selectivities.
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The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase EnzymesExperimental and Theoretical Studies in Hydrogen-Bonding OrganocatalysisDiastereoselectivity in Lewis-acid-catalyzed Mukaiyama aldol reactions: a DFT study.The ever-expanding role of asymmetric covalent organocatalysis in scalable, natural product synthesis.Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene CatalysisHow cinchona alkaloid-derived primary amines control asymmetric electrophilic fluorination of cyclic ketones.Concerted amidation of activated esters: reaction path and origins of selectivity in the kinetic resolution of cyclic amines via N-heterocyclic carbenes and hydroxamic acid cocatalyzed acyl transfer.Copolymer-supported heterogeneous organocatalyst for asymmetric aldol addition in aqueous medium.Mechanism of the reactions of alcohols with o-benzynes.Stereoselectivities of histidine-catalyzed asymmetric aldol additions and contrasts with proline catalysis: a quantum mechanical analysisA Computational Study of the Origin of Stereoinduction in NHC-Catalyzed Annulation Reactions of α,β-Unsaturated Acyl Azoliums.Advances in nucleophilic phosphine catalysis of alkenes, allenes, alkynes, and MBHADs.Multidimensional steric parameters in the analysis of asymmetric catalytic reactions.Recent advances in organocatalytic methods for the synthesis of disubstituted 2- and 3-indolinones.Synergy, compatibility, and innovation: merging Lewis acids with stereoselective enamine catalysis.London dispersion in molecular chemistry--reconsidering steric effects.Organo- and Organometallic-Catalytic Intramolecular [1,5]-Hydride Transfer/Cyclization Process through C(sp(3) )-H Bond Activation.C-Alkylation by Hydrogen Autotransfer Reactions.Structural and relative energy assessments of DFT functionals and the MP2 method to describe the gas phase methylation of nitronates: [R(1)R(2)CNO2](-) + CH3I.Pericyclic cascade with chirality transfer: reaction pathway and origin of enantioselectivity of the hetero-Claisen approach to oxindoles.From Mechanistic Study to Chiral Catalyst Optimization: Theoretical Insight into Binaphthophosphepine-catalyzed Asymmetric Intramolecular [3 + 2] Cycloaddition.Cross-trienamines in asymmetric organocatalysisElectronic tuning of site-selectivity.Bifunctional iminophosphorane organocatalysts for enantioselective synthesis: application to the ketimine nitro-Mannich reaction.Aromatic "Redox Tag"-assisted Diels-Alder reactions by electrocatalysis.A versatile and efficient approach for the synthesis of chiral 1,3-nitroamines and 1,3-diamines via conjugate addition to new (S,E)-γ-aminated nitroalkenes derived from L-α-amino acids.Light-Driven Enantioselective Organocatalytic β-Benzylation of Enals.Enantioselective desymmetrization of prochiral cyclohexanones by organocatalytic intramolecular Michael additions to α,β-unsaturated esters.Cholinesterase-like organocatalysis by imidazole and imidazole-bearing molecules.Old tricks, new dogs: organocatalytic dienamine activation of α,β-unsaturated aldehydesQuantum chemistry as a tool in asymmetric biocatalysis: limonene epoxide hydrolase test case.Computational design of a Diels-Alderase from a thermophilic esterase: the importance of dynamics.A computational study on the stereoselective organocatalytic epoxidation of α,β-unsaturated aldehydes with hydrogen peroxide.On the method-dependence of transition state asynchronicity in Diels-Alder reactions.Theoretical study on the reaction of CO2 and 2-aminobenzonitrile to form quinazoline-2,4(1H,3H)-dione in water without any catalyst.Chiral primary-amine-catalyzed conjugate addition to α-substituted vinyl ketones/aldehydes: divergent stereocontrol modes on enamine protonation.Aromatic interactions in asymmetric catalysis: control of enantioselectivity in Diels-Alder reactions catalysed by camphor-derived hydrazides.Aromatic Interactions in Organocatalyst Design: Augmenting Selectivity Reversal in Iminium Ion Activation.Directed electrostatic activation in enantioselective organocatalytic cyclopropanation reactions: a computational study.Mukaiyama-Michael reactions with trans-2,5-diarylpyrrolidine catalysts: enantioselectivity arises from attractive noncovalent interactions, not from steric hindrance.
P2860
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P2860
Quantum mechanical investigations of organocatalysis: mechanisms, reactivities, and selectivities.
description
2011 nî lūn-bûn
@nan
2011 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Quantum mechanical investigati ...... activities, and selectivities.
@ast
Quantum mechanical investigati ...... activities, and selectivities.
@en
type
label
Quantum mechanical investigati ...... activities, and selectivities.
@ast
Quantum mechanical investigati ...... activities, and selectivities.
@en
prefLabel
Quantum mechanical investigati ...... activities, and selectivities.
@ast
Quantum mechanical investigati ...... activities, and selectivities.
@en
P2093
P2860
P50
P356
P1433
P1476
Quantum mechanical investigati ...... activities, and selectivities.
@en
P2093
Claude Y Legault
Joann M Um
Nihan Çelebi-Ölçüm
Paul Ha-Yeon Cheong
P2860
P304
P356
10.1021/CR100212H
P577
2011-06-28T00:00:00Z