Gino DiLabio
TitoloCitata daAnno
Predicting the activity of phenolic antioxidants: theoretical method, analysis of substituent effects, and application to major families of antioxidants
JS Wright, ER Johnson, GA DiLabio
Journal of the American Chemical Society 123 (6), 1173-1183, 2001
13462001
Field regulation of single-molecule conductivity by a charged surface atom
PG Piva, GA DiLabio, JL Pitters, J Zikovsky, M Rezeq, S Dogel, WA Hofer, ...
Nature 435 (7042), 658, 2005
3372005
Dispersion interactions in density‐functional theory
ER Johnson, ID Mackie, GA DiLabio
Journal of Physical Organic Chemistry 22 (12), 1127-1135, 2009
3202009
Theoretical study of X− H bond energetics (X= C, N, O, S): application to substituent effects, gas phase acidities, and redox potentials
GA DiLabio, DA Pratt, AD LoFaro, JS Wright
The Journal of Physical Chemistry A 103 (11), 1653-1661, 1999
2731999
Application of 25 density functionals to dispersion-bound homomolecular dimers
ER Johnson, RA Wolkow, GA DiLabio
Chemical physics letters 394 (4-6), 334-338, 2004
2502004
Controlled coupling and occupation of silicon atomic quantum dots at room temperature
MB Haider, JL Pitters, GA DiLabio, L Livadaru, JY Mutus, RA Wolkow
Physical review letters 102 (4), 046805, 2009
2002009
Critical re-evaluation of the O− H bond dissociation enthalpy in phenol
P Mulder, HG Korth, DA Pratt, GA DiLabio, L Valgimigli, GF Pedulli, ...
The Journal of Physical Chemistry A 109 (11), 2647-2655, 2005
1932005
Simple one-electron quantum capping potentials for use in hybrid QM/MM studies of biological molecules
GA DiLabio, MM Hurley, PA Christiansen
The Journal of chemical physics 116 (22), 9578-9584, 2002
1642002
Lone pair− π and π− π interactions play an important role in proton-coupled electron transfer reactions
GA DiLabio, ER Johnson
Journal of the American Chemical Society 129 (19), 6199-6203, 2007
1622007
5-Pyrimidinols: novel chain-breaking antioxidants more effective than phenols
DA Pratt, GA DiLabio, G Brigati, GF Pedulli, L Valgimigli
Journal of the American Chemical Society 123 (19), 4625-4626, 2001
1562001
Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes
ER Johnson, AD Becke, CD Sherrill, GA DiLabio
The Journal of chemical physics 131 (3), 034111, 2009
1542009
Patterning of Vinylferrocene on H− Si (100) via Self-Directed Growth of Molecular Lines and STM-Induced Decomposition
P Kruse, ER Johnson, GA DiLabio, RA Wolkow
Nano Letters 2 (8), 807-810, 2002
1532002
Structure and binding energies in van der Waals dimers: Comparison between density functional theory and correlated ab initio methods
ER Johnson, GA DiLabio
Chemical physics letters 419 (4-6), 333-339, 2006
1482006
Interactions in large, polyaromatic hydrocarbon dimers: application of density functional theory with dispersion corrections
ID Mackie, GA DiLabio
The Journal of Physical Chemistry A 112 (43), 10968-10976, 2008
1472008
6‐Amino‐3‐Pyridinols: Towards Diffusion‐Controlled Chain‐Breaking Antioxidants
M Wijtmans, DA Pratt, L Valgimigli, GA DiLabio, GF Pedulli, NA Porter
Angewandte Chemie International Edition 42 (36), 4370-4373, 2003
1422003
Reaction of phenols with the 2, 2-diphenyl-1-picrylhydrazyl radical. Kinetics and DFT calculations applied to determine ArO-H bond dissociation enthalpies and reaction mechanism
MC Foti, C Daquino, ID Mackie, GA DiLabio, KU Ingold
The Journal of organic chemistry 73 (23), 9270-9282, 2008
1292008
Bond strengths of toluenes, anilines, and phenols: to Hammett or not
DA Pratt, GA DiLabio, P Mulder, KU Ingold
Accounts of chemical research 37 (5), 334-340, 2004
1272004
Substituent effects on the bond dissociation enthalpies of aromatic amines
DA Pratt, GA DiLabio, L Valgimigli, GF Pedulli, KU Ingold
Journal of the American Chemical Society 124 (37), 11085-11092, 2002
1132002
Theoretical and Synthetic Investigations of Carbodiimide Insertions into Al−CH3 and Al−N(CH3)2 Bonds
CN Rowley, GA DiLabio, ST Barry
Inorganic chemistry 44 (6), 1983-1991, 2005
1122005
Accurate treatment of van der Waals interactions using standard density functional theory methods with effective core-type potentials: Application to carbon-containing dimers
GA DiLabio
Chemical Physics Letters 455 (4-6), 348-353, 2008
1112008
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Articoli 1–20