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Results: 1-11 |
Results: 11
Predicting the activity of phenolic antioxidants: Theoretical method, analysis of substituent effects, and application to major families of antioxidants
Authors: Wright, JS Johnson, ER DiLabio, GA
Citation: Js. Wright et al., Predicting the activity of phenolic antioxidants: Theoretical method, analysis of substituent effects, and application to major families of antioxidants, J AM CHEM S, 123(6), 2001, pp. 1173-1183
5-Pyrimidinols: Novel chain-breaking antioxidants more effective than phenols
Authors: Pratt, DA DiLabio, GA Brigati, G Pedulli, GF Valgimigli, L
Citation: Da. Pratt et al., 5-Pyrimidinols: Novel chain-breaking antioxidants more effective than phenols, J AM CHEM S, 123(19), 2001, pp. 4625-4626
Density functional theory based model calculations for accurate bond dissociation enthalpies. 2. Studies of X-X and X-Y (X, Y=C, N, O, S, halogen) bonds
Authors: DiLabio, GA Pratt, DA
Citation: Ga. Dilabio et Da. Pratt, Density functional theory based model calculations for accurate bond dissociation enthalpies. 2. Studies of X-X and X-Y (X, Y=C, N, O, S, halogen) bonds, J PHYS CH A, 104(9), 2000, pp. 1938-1943
Hemiketal formation of dehydroascorbic acid drives ascorbyl radical anion disproportionation
Authors: DiLabio, GA Wright, JS
Citation: Ga. Dilabio et Js. Wright, Hemiketal formation of dehydroascorbic acid drives ascorbyl radical anion disproportionation, FREE RAD B, 29(5), 2000, pp. 480-485
Theoretical calculation of ionization potentials for disubstituted benzenes: Additivity vs non-additivity of substituent effects
Authors: DiLabio, GA Pratt, DA Wright, JS
Citation: Ga. Dilabio et al., Theoretical calculation of ionization potentials for disubstituted benzenes: Additivity vs non-additivity of substituent effects, J ORG CHEM, 65(7), 2000, pp. 2195-2203
Protonation as a means of manufacturing light trications: a case study of B2H33+
Authors: DiLabio, GA Matusek, DR
Citation: Ga. Dilabio et Dr. Matusek, Protonation as a means of manufacturing light trications: a case study of B2H33+, CHEM P LETT, 317(6), 2000, pp. 597-602
Using locally dense basis sets for the determination of molecular properties
Authors: DiLabio, GA
Citation: Ga. Dilabio, Using locally dense basis sets for the determination of molecular properties, J PHYS CH A, 103(51), 1999, pp. 11414-11424
Potential curves for the Mg+Rn complex including charge-transfer states
Authors: Christiansen, PA Moffett, TM DiLabio, GA
Citation: Pa. Christiansen et al., Potential curves for the Mg+Rn complex including charge-transfer states, J PHYS CH A, 103(44), 1999, pp. 8875-8878
Theoretical study of X-H bond energetics (X = C, N, O, S): Application to substituent effects, gas phase acidities, and redox potentials
Authors: DiLabio, GA Pratt, DA LoFaro, AD Wright, JS
Citation: Ga. Dilabio et al., Theoretical study of X-H bond energetics (X = C, N, O, S): Application to substituent effects, gas phase acidities, and redox potentials, J PHYS CH A, 103(11), 1999, pp. 1653-1661
Dissociation of molecular chlorine in a Coulomb explosion: Potential curves, bound states, and deviation from Coulombic behavior for Cl-2(n+) (n=2,3,4,6,8,10)
Authors: Wright, JS DiLabio, GA Matusek, DR Corkum, PB Ivanov, MY Ellert, C Buenker, RJ Alekseyev, AB Hirsch, G
Citation: Js. Wright et al., Dissociation of molecular chlorine in a Coulomb explosion: Potential curves, bound states, and deviation from Coulombic behavior for Cl-2(n+) (n=2,3,4,6,8,10), PHYS REV A, 59(6), 1999, pp. 4512-4521
Theoretical calculation of gas-phase ionization potentials for mono- and polysubstituted benzenes
Authors: DiLabio, GA Pratt, DA Wright, JS
Citation: Ga. Dilabio et al., Theoretical calculation of gas-phase ionization potentials for mono- and polysubstituted benzenes, CHEM P LETT, 311(3-4), 1999, pp. 215-220
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