@article { ISI:000301225000022,
	title = {Converting ab initio energies to enthalpies of formation of free radicals. I. new atom equivalents for alkyl radicals},
	journal = {Aiche Journal},
	volume = {58},
	number = {2},
	year = {2012},
	month = {FEB},
	pages = {600-609},
	publisher = {WILEY-BLACKWELL},
	address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA},
	abstract = {<p>A simple method is presented to convert ab initio computed total energies to the standard enthalpy of formation (Delta H-f(o)) of a large number of saturated alkyl radicals (especially those that are relatively highly branched), for which experimental data are scarcely available. For this purpose a new set of radical atom-equivalents (AEQ) and their unique combinations were defined and the energy values of the latter assigned. The theory level and the basis set requirement for the quantum chemistry calculation of the molecular energy were found to be moderate. The Delta H-f(o) predictions appear to be quite accurate with reference to limited available experimental data and are better than values calculated by the group-additivity and the difference methods. The strategy provides an inexpensive way of harnessing the power of computational chemistry and combining it with the organization and insight from the group-additivity method sans any empirical corrections. (C) 2011 American Institute of Chemical Engineers AIChE J, 58: 600-609, 2012</p>},
	keywords = {atom-equivalents, computational chemistry, enthalpy of formation, free radicals, goup additivity method},
	issn = {0001-1541},
	doi = {10.1002/aic.12596},
	author = {Bhattacharya, Arijit}
}
@article { ISI:000333808600006,
	title = {Blue luminescent graphene quantum dots by photochemical stitching of small aromatic molecules: fluorescent nanoprobes in cellular imaging},
	journal = {Particle \& Particle Systems Characterization },
	volume = {31},
	number = {4},
	year = {2014},
	month = {APR},
	pages = {433-438},
	publisher = {WILEY-V C H VERLAG GMBH},
	type = {Article},
	address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY},
	abstract = {<p>Blue fluorescent graphene quantum dots (GQDs) are synthesized from small haloaromatic molecules by laser photochemistry. The process involves a bottom-up photochemical stitching mechanism of the free radicals generated by irradiation of ultraviolet photons (lambda = 248 nm) on o-dichlorobenzene. The GQDs are further demonstrated to be of importance as fluorescent nanoprobes in bioimaging of cells.image</p>},
	keywords = {bioimaging, free radicals, graphene quantum dots, photochemical stitching, UV laser},
	issn = {0934-0866},
	doi = {10.1002/ppsc.201300294},
	author = {Gokhale, Rohan and Singh, Pooja}
}
