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	1.	Dispersion-correcting potentials can significantly improve the bond dissociation enthalpies and noncovalent binding energies predicted by density-functional theory. [electronic resource] by DiLabio, Gino A Koleini, Mohammad Producer: 20150415 In: The Journal of chemical physics vol. 140 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Rearrangement of the 1,1-diphenylethoxyl radical is not concerted but occurs through a bridged intermediate. [electronic resource] by Smeu, Manuel DiLabio, Gino A Producer: 20070702 In: The Journal of organic chemistry vol. 72 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	A (Nearly) Universally Applicable Method for Modeling Noncovalent Interactions Using B3LYP. [electronic resource] by Torres, Edmanuel DiLabio, Gino A Producer: 20150922 In: The journal of physical chemistry letters vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Density-Functional Theory with Dispersion-Correcting Potentials for Methane: Bridging the Efficiency and Accuracy Gap between High-Level Wave Function and Classical Molecular Mechanics Methods. [electronic resource] by Torres, Edmanuel DiLabio, Gino A Producer: 20151124 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Interactions in large, polyaromatic hydrocarbon dimers: application of density functional theory with dispersion corrections. [electronic resource] by Mackie, Iain D DiLabio, Gino A Producer: 20081217 In: The journal of physical chemistry. A vol. 112 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	A theoretical study of the iminoxyl/oxime self-exchange reaction. A five-center, cyclic proton-coupled electron transfer. [electronic resource] by DiLabio, Gino A Ingold, K U Producer: 20050628 In: Journal of the American Chemical Society vol. 127 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Accurate dispersion interactions from standard density-functional theory methods with small basis sets. [electronic resource] by Mackie, Iain D Dilabio, Gino A Producer: 20100902 In: Physical chemistry chemical physics : PCCP vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Bond strengths: the importance of hyperconjugation. [electronic resource] by Ingold, K U DiLabio, Gino A Producer: 20070925 In: Organic letters vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Ring-opening radical clock reactions: many density functionals have difficulty keeping time. [electronic resource] by Mackie, Iain D DiLabio, Gino A Producer: 20110818 In: Organic & biomolecular chemistry vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies. [electronic resource] by Mackie, Iain D DiLabio, Gino A Producer: 20120207 In: The Journal of chemical physics vol. 135 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Solvolysis of para-substituted cumyl chlorides. Brown and Okamoto's electrophilic substituent constants revisited using continuum solvent models. [electronic resource] by DiLabio, Gino A Ingold, K U Producer: 20040504 In: The Journal of organic chemistry vol. 69 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Radicals as hydrogen bond donors and acceptors. [electronic resource] by Johnson, Erin R Dilabio, Gino A Producer: 20100913 In: Interdisciplinary sciences, computational life sciences vol. 1 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Lone pair-pi and pi-pi interactions play an important role in proton-coupled electron transfer reactions. [electronic resource] by DiLabio, Gino A Johnson, Erin R Producer: 20070622 In: Journal of the American Chemical Society vol. 129 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	CO2 adsorption by nitrogen-doped carbon nanotubes predicted by density-functional theory with dispersion-correcting potentials. [electronic resource] by Mackie, Iain D DiLabio, Gino A Producer: 20110609 In: Physical chemistry chemical physics : PCCP vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Hydrogen atom abstraction reactions from tertiary amines by benzyloxyl and cumyloxyl radicals: influence of structure on the rate-determining formation of a hydrogen-bonded prereaction complex. [electronic resource] by Salamone, Michela DiLabio, Gino A Bietti, Massimo Producer: 20120117 In: The Journal of organic chemistry vol. 76 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Reactions of the cumyloxyl and benzyloxyl radicals with strong hydrogen bond acceptors. Large enhancements in hydrogen abstraction reactivity determined by substrate/radical hydrogen bonding. [electronic resource] by Salamone, Michela DiLabio, Gino A Bietti, Massimo Producer: 20130617 In: The Journal of organic chemistry vol. 77 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Hydrogen atom abstraction selectivity in the reactions of alkylamines with the benzyloxyl and cumyloxyl radicals. The importance of structure and of substrate radical hydrogen bonding. [electronic resource] by Salamone, Michela DiLabio, Gino A Bietti, Massimo Producer: 20120203 In: Journal of the American Chemical Society vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Isomerization of triphenylmethoxyl and 1,1-diphenylethoxyl radicals. Revised assignment of the electron-spin resonance spectra of purported intermediates formed during the ceric ammonium nitrate mediated photooxidation of aryl carbinols. [electronic resource] by Ingold, K U Smeu, Manuel Dilabio, Gino A Producer: 20070226 In: The Journal of organic chemistry vol. 71 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Quantum capping potentials with point charges: a simple QM/MM approach for the calculation of large-molecule NMR shielding tensors. [electronic resource] by Moon, Seongho Christiansen, Phillip A DiLabio, Gino A Producer: 20061213 In: The Journal of chemical physics vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Transferable Atom-Centered Potentials for the Correction of Basis Set Incompleteness Errors in Density-Functional Theory. [electronic resource] by Otero-de-la-Roza, A DiLabio, Gino A Producer: 20180312 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 79 results.