Prediction of acidity in acetonitrile solution with COSMO-RS
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Synthesis, Characterization, and Reactivity of Functionalized Trinuclear Iron-Sulfur Clusters - A New Class of Bioinspired Hydrogenase ModelsDifferentiating amino acid residues and side chain orientations in peptides using scanning tunneling microscopyNew insights into the chemistry of ionic alkylorganic carbonates: a computational study.Brønsted acidity and the medium: fundamentals with a focus on ionic liquids.Cluster-continuum quasichemical theory calculation of the lithium ion solvation in water, acetonitrile and dimethyl sulfoxide: an absolute single-ion solvation free energy scale.Evaluating the COSMO-RS method for modeling hydrogen bonding in solution.Chloride sensing via suppression of excited state intramolecular proton transfer in squaramides.Distinguishing between keto-enol and acid-base forms of firefly oxyluciferin through calculation of excited-state equilibrium constants.Critical Aspects of Heme-Peroxo-Cu Complex Structure and Nature of Proton Source Dictate Metal-O(peroxo) Breakage versus Reductive O-O Cleavage Chemistry.Tuning the overpotential of electrocatalytically active cyclopentadienylnickel complexes containing 1,4-diaza-1,3-butadienes (DAB) for proton reduction.On the acidity and reactivity of highly effective chiral Brønsted acid catalysts: establishment of an acidity scale.Utilization of the dye N-methyl-6-oxyquinolone as an optical acidometer in molecular solvents and protic ionic liquids.High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling.Complexation of Donor-Acceptor Substituted Aza-Crowns with Alkali and Alkaline Earth Metal Cations. Charge Transfer and Recoordination in Excited State.Synthesis of substituted β-diketiminate gallium hydrides via oxidative addition of H-O bonds.New catalysts for carboxylation of propylene glycol to propylene carbonate via high-throughput screening.Solution and gas-phase acidities of all-trans (all-E) retinoic acid: an experimental and computational study.Citropin 1.1 Trifluoroacetate to Chloride Counter-Ion Exchange in HCl-Saturated Organic Solutions: An Alternative Approach.Influence of Water Content on Basicities in AcetonitrileAcidities of strong neutral Brønsted acids in different mediaThiol-Michael addition in polar aprotic solvents: nucleophilic initiation or base catalysis?The COSMO and COSMO-RS solvation modelsTowards a first principles prediction of pKa: COSMO-RS and the cluster-continuum approach
P2860
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P2860
Prediction of acidity in acetonitrile solution with COSMO-RS
description
2009 nî lūn-bûn
@nan
2009 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Prediction of acidity in acetonitrile solution with COSMO-RS
@ast
Prediction of acidity in acetonitrile solution with COSMO-RS
@en
type
label
Prediction of acidity in acetonitrile solution with COSMO-RS
@ast
Prediction of acidity in acetonitrile solution with COSMO-RS
@en
prefLabel
Prediction of acidity in acetonitrile solution with COSMO-RS
@ast
Prediction of acidity in acetonitrile solution with COSMO-RS
@en
P50
P356
P1476
Prediction of acidity in acetonitrile solution with COSMO-RS
@en
P2093
Frank Eckert
Michael Diedenhofen
P304
P356
10.1002/JCC.21103
P577
2009-04-15T00:00:00Z