Published in J Phys Chem A on October 07, 2010
Extension of the self-consistent spectrophotometric basicity scale in acetonitrile to a full span of 28 pKa units: unification of different basicity scales. J Org Chem (2005) 2.45
Computational study on the reactivity of tetrazines toward organometallic reagents. J Org Chem (2010) 1.16
Pentakis(trifluoromethyl)phenyl, a sterically crowded and electron-withdrawing group: synthesis and acidity of pentakis(trifluoromethyl)benzene, -toluene, -phenol, and -aniline. J Org Chem (2008) 1.04
Gas-phase Brønsted superacidity of some derivatives of monocarba-closo-borates: a computational study. J Phys Chem A (2009) 0.99
A comprehensive self-consistent spectrophotometric acidity scale of neutral Brønsted acids in acetonitrile. J Org Chem (2006) 0.98
The ever-surprising chemistry of boron: enhanced acidity of phosphine.boranes. Chemistry (2009) 0.85
Acid-base equilibria in nonpolar media. 2.(1) Self-consistent basicity scale in THF solution ranging from 2-methoxypyridine to EtP(1)(pyrr) phosphazene. J Org Chem (2002) 0.85
Equilibrium acidities of superacids. J Org Chem (2010) 0.83
Experimental and computational thermochemical study of sulfur-containing amino acids: L-cysteine, L-cystine, and L-cysteine-derived radicals. S-S, S-H, and C-S bond dissociation enthalpies. J Phys Chem B (2010) 0.81
Dihydrogen generation from amine/boranes: synthesis, FT-ICR, and computational studies. Chemistry (2012) 0.81
Experimental and computational thermochemical study and solid-phase structure of 5,5-dimethylbarbituric acid. J Phys Chem A (2010) 0.81
Guanidinophosphazenes: design, synthesis, and basicity in THF and in the gas phase. J Am Chem Soc (2005) 0.80
Intrinsic relative scales of electrophilicity and nucleophilicity. J Phys Chem A (2013) 0.80
Computational study of cesium cation interactions with neutral and anionic compounds related to soil organic matter. J Phys Chem A (2009) 0.79
How can a carbon atom be covalently bound to five ligands? The case of Si2(CH3)7+. Angew Chem Int Ed Engl (2007) 0.79
Acidity of anilines: calculations vs experiment. J Phys Chem A (2011) 0.79
Experimental gas-phase basicity scale of superbasic phosphazenes. J Phys Chem A (2007) 0.79
Boratabenzene Anions C5B(CN)6(-) and C5B(CF3)6(-) and the superacidic properties of their conjugate acids. Chemphyschem (2009) 0.78
Structural effect on the stability of (pyridine)(2)Cu(+) complexes in the gas phase: nature of the bond between copper(I) ion and neutral molecules. J Phys Chem A (2007) 0.78
Brønsted basicities of diamines in the gas phase, acetonitrile, and tetrahydrofuran. Chemistry (2007) 0.78
Highly effective vinylogous Mukaiyama-Michael reaction catalyzed by silyl methide species generated from 1,1,3,3-tetrakis(trifluoromethanesulfonyl)propane. J Org Chem (2010) 0.78
Evaluation of alkali metal cation affinities and basicities using extrapolation to the complete basis set limit. J Phys Chem A (2014) 0.78
Single-electron self-exchange between cage hydrocarbons and their radical cations in the gas phase. Chemphyschem (2010) 0.78
IEF-PCM calculations of absolute pKa for substituted phenols in dimethyl sulfoxide and acetonitrile solutions. J Phys Chem A (2009) 0.78
Structure-energy relationship in barbituric acid: a calorimetric, computational, and crystallographic study. J Phys Chem A (2008) 0.77
Acid-base equilibria in nonpolar media. 4. Extension of the self-consistent basicity scale in THF medium. Gas-phase basicities of phosphazenes. J Org Chem (2003) 0.76
Ab initio and experimental thermodynamic and kinetic study of proton-assisted bond activation in gaseous hydrocarbons: deconvolution of reaction efficiencies in the case of adamantane. Chemistry (2006) 0.75
Design and modeling of a cost-effective achromatic Fresnel lens for concentrating photovoltaics. Opt Express (2016) 0.75
Kinetic and theoretical studies on alkaline ethanolysis of 4-nitrophenyl salicylate: effect of alkali metal ions on reactivity and mechanism. Chemistry (2011) 0.75
Regioselective carbon-carbon bond cleavage in the oxidation of cyclopropenylcarbinols. Org Lett (2011) 0.75
Synthesis of δ-oxo-1,1-bis(triflyl)alkanes and their acidities. Molecules (2013) 0.75
Experimental and computational thermochemical study of 2-thiobarbituric acid: structure-energy relationship. J Phys Chem A (2012) 0.75
Thermochemistry of 2,5-thiophenedicarboxylic acid. J Phys Chem A (2006) 0.75
Thermochemical insights on the conformational energetics of azepan and azepan-1-ylacetonitrile. J Org Chem (2014) 0.75
17O NMR studies of ortho-substituent effects in substituted phenyl tosylates. Magn Reson Chem (2012) 0.75
Investigations of cluster ions formed between cesium cations and benzoic, salicylic and phthalic acids by electrospray mass spectrometry and density-functional theory calculations. Toward a modeling of the interaction of Cs+ with humic substances. Rapid Commun Mass Spectrom (2005) 0.75
Dissociation dynamics and thermochemistry of tin species, (CH3)4Sn and (CH3)6Sn2, by threshold photoelectron-photoion coincidence spectroscopy. J Phys Chem A (2010) 0.75
Revision of the gas-phase acidity scale below 300 kcal mol(-1). J Phys Chem A (2009) 0.75
Experimental and computational thermochemical study of barbituric acids: structure-energy relationship in 1,3-dimethylbarbituric acid. J Phys Chem A (2011) 0.75
Amino substituted bisketenes: generation, structure, and reactivity. J Org Chem (2007) 0.75
Thermochemistry of 2- and 3-acetylthiophenes: calorimetric and computational study. J Phys Chem A (2007) 0.75
Thermochemistry of bithiophenes and thienyl radicals. A calorimetric and computational study. J Phys Chem A (2009) 0.75
Acid-base equilibria in nonpolar media. 3. Expanding the spectrophotometric acidity scale in heptane. J Org Chem (2003) 0.75
Energetics and structural properties, in the gas phase, of trans-hydroxycinnamic acids. J Phys Chem A (2012) 0.75
Theoretical prediction and assignment of vicinal 1H-1H coupling constants of diastereomeric 3-alkoxy-6,7-epoxy-2-oxabicyclo[3.3.0]octanes. Magn Reson Chem (2011) 0.75
Theoretical examination of the S-C-P anomeric effect. J Org Chem (2015) 0.75
Superacidity of closo-dodecaborate-based Brønsted acids: a DFT study. J Phys Chem A (2015) 0.75
Dissociation of energy selected Sn(CH3)4(+), Sn(CH3)3Cl+, and Sn(CH3)3Br+ ions: evidence for isolated excited state dynamics. Phys Chem Chem Phys (2011) 0.75
Generalized principle of designing neutral superstrong Brønsted acids. J Am Chem Soc (2002) 0.75
Basicity of some P1 phosphazenes in water and in aqueous surfactant solution. Org Biomol Chem (2006) 0.75
Calculations of pKa of superacids in 1,2-dichloroethane. J Phys Chem A (2011) 0.75
Energetics of the lighter chalcogen analogues of carboxylic acid esters. J Phys Chem B (2010) 0.75
Hydrogen-bonding interactions of (CF3)3CH and (CF3)3C- in the gas phase. An experimental (FT-ICR) and computational study. J Phys Chem A (2009) 0.75
Neutral, ion gas-phase energetics and structural properties of hydroxybenzophenones. J Org Chem (2010) 0.75
Experimental and theoretical study of the structures and enthalpies of formation of the synthetic reagents 1,3-thiazolidine-2-thione and 1,3-oxazolidine-2-thione. J Phys Chem A (2009) 0.75
Protonation of cubane in the gas phase: a high-level Ab initio and DFT study. Angew Chem Int Ed Engl (2003) 0.75
Why does pivalaldehyde (trimethylacetaldehyde) unexpectedly seem more basic than 1-adamantanecarbaldehyde in the gas phase? FT-ICR and high-level ab initio studies. Chemistry (2005) 0.75
Activation of the disulfide bond and chalcogen-chalcogen interactions: an experimental (FTICR) and computational study. Chemistry (2007) 0.75
Aminolysis of Y-substituted phenyl X-substituted cinnamates and benzoates: effect of modification of the nonleaving group from benzoyl to cinnamoyl. J Org Chem (2007) 0.75
Experimental and computational thermochemical study of 2- and 3-thiopheneacetic acid methyl esters. J Phys Chem A (2007) 0.75
An NMR and MD modeling insight into nucleation of 1,2-alkanediols: selective crystallization of lipase-catalytically resolved enantiomers from the reaction mixtures. J Org Chem (2013) 0.75
Diosgenone synthesis, anti-malarial activity and QSAR of analogues of this natural product. Molecules (2013) 0.75
Linear free energy relationship and kinetic isotope effects as measures for the transition state variation. A computational study. J Org Chem (2003) 0.75
Thermochemistry of 2- and 3-thiopheneacetic acids: calorimetric and computational study. J Phys Chem A (2008) 0.75
Calorimetric and computational study of 1,3- and 1,4-oxathiane sulfones. J Org Chem (2007) 0.75
Gas-Phase Acidities and Basicities of Alanines and N-Benzyl-Alanines by the Extended Kinetic Method. J Phys Chem A (2017) 0.75
Bonding energetics in clusters formed by cesium salts: a study by collision-induced dissociation and density functional theory. Rapid Commun Mass Spectrom (2006) 0.75
Thermodynamic and conformational study of proline stereoisomers. J Phys Chem B (2014) 0.75
Experimental and computational thermochemical study of α-alanine (DL) and β-alanine. J Phys Chem B (2010) 0.75
Isoelectronic and isolobal O, CH2, CH3+ and BH3 as electron pairs; similarities between molecular and solid-state chemistry. Acta Crystallogr B Struct Sci Cryst Eng Mater (2013) 0.75
Experimental and theoretical study of the structures and enthalpies of formation of 3H-1,3-benzoxazole-2-thione, 3H-1,3-benzothiazole-2-thione, and their tautomers. J Phys Chem A (2010) 0.75
Energetic and structural study of bisphenols. J Phys Chem A (2014) 0.75
Stereoelectronic, strain, and medium effects on the protonation of cubylamine, a Janus-like base. Angew Chem Int Ed Engl (2003) 0.75
Synthesis and quantitative analysis of diastereomeric linked ester conjugates with remote stereocenters using high-field NMR and chiral HPLC. Chirality (2013) 0.75
Polytrifluoromethylation versus polyfluorination of the isomers of Kekulé benzene and phenol: a theoretical study. J Org Chem (2010) 0.75
Observable azacyclobutenone ylides with antiaromatic character from 2-diazoacetyl-azaaromatics. J Am Chem Soc (2007) 0.75
Structural effect on the stability of acetophenone-B(OMe)2 complexes in the gas phase. The nature of the bond between the boron cation and neutral molecules. J Phys Chem A (2009) 0.75
Isomeric solid enols on ring- and amide-carbonyls of substituted 2-carbanilido-1,3-indandiones. Org Lett (2007) 0.75
An integral equation and simulation study of hydrogen inclusions in a molecular crystal of short-capped nanotubes. J Phys Condens Matter (2016) 0.75
Influence of carbocation stability in the gas phase on solvolytic reactivity: beyond bridgehead derivatives. J Org Chem (2003) 0.75
A new class of organosuperbases, N-alkyl- and N-aryl-1,3-dialkyl-4,5-dimethylimidazol-2-ylidene amines: synthesis, structure, pK(BH+) measurements, and properties. Chemistry (2012) 0.75
Calorimetric and computational study of 1,4-dithiacyclohexane 1,1-dioxide (1,4-dithiane sulfone). J Org Chem (2006) 0.75
Aminolysis of Y-substituted phenyl diphenylphosphinates and benzoates: effect of modification of electrophilic center from C=O to P=O. J Org Chem (2006) 0.75
Facile one-step synthesis of MPHMes from MesPCl2 (M = Li, Na, K; Mes = 2,4,6-Me3C6H2). Inorg Chem (2013) 0.75
Structural effects on interconversion of oxygen-substituted bisketenes and cyclobutenediones. J Org Chem (2008) 0.75