@conference { ISI:000238125903358,
	title = {Micellization and colloidal adsorption of a model polyelectrolyte diblock copolymer in selective solvent: theoretical model combining scaling and lattice mean field approaches},
	booktitle = { 231st National Meeting of the American-Chemical-Society},
	volume = {231},
	year = {2006},
	note = {231st National Meeting of the American-Chemical-Society, Atlanta, GA, MAR 26-30, 2006},
	month = {MAR},
	pages = {358-COLL},
	publisher = {American Chemical Society},
	organization = {American Chemical Society},
	type = {Meeting Abstract},
	address = {1155 16th ST, NW, Washington, DC 20036 USA},
	issn = {0065-7727},
	author = {Natarajan, Upendra and Poddar, Neha}
}
@article { ISI:000260431100004,
	title = {Monte carlo simulations of chain dimensions and conformational properties of various poly(n-alkyl methacrylates) in solution},
	journal = {Journal of Macromolecular Science Part B-Physics},
	volume = {47},
	number = {6},
	year = {2008},
	month = {OCT},
	pages = {1075-1086},
	publisher = {TAYLOR \& FRANCIS INC},
	address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA},
	abstract = {<p>Rotational Isomeric State (RIS) Metropolis Monte Carlo (RMMC) simulations of the conformational properties and chain dimensions of a series of chemically different poly(n-alkyl methacrylates) including poly(methyl methacrylate), poly(n-butyl methacrylate), poly(n-hexyl methacrylate), and poly(phenyl methacrylate), in the theta state were investigated, and (r(2)/M)(1/2), (s(2)/M)(1/2) and C(n) were calculated and compared in order to obtain fundamental understanding of the influence of the chemical structure. Simulations were conducted for different molecular weights. Results obtained from the simulations are compared with experimentally obtained dimensions in the literature using the Mark-Houwink relationship as well as, in some cases, data available from direct determinations in theta solvents. Good agreement between simulation and experimental data was obtained. The backbone conformation is predominantly trans in these polymers. Increase in bulkiness and rigidity of the substituting acrylate side group results in an increase in trans and a decrease in gauche backbone conformer population. In the case of rotatable bonds in the side-group structure, increase in rigidity of the side group leads to a decrease in the trans population, although this effect is not uniformly observed.</p>},
	keywords = {chain dimensions, Monte Carlo simulation, polymethacrylate, theta solvent},
	issn = {0022-2348},
	doi = {10.1080/00222340802266397},
	author = {Karyappa, Rahul B. and Natarajan, Upendra}
}
@article { ISI:000302350300092,
	title = {Molecular simulations of the conformational properties of atactic poly(2-ethylbutyl methacrylate)},
	journal = {Journal of Applied Polymer Science},
	volume = {125},
	number = {2},
	year = {2012},
	month = {JUL},
	pages = {1586-1591},
	publisher = {WILEY-BLACKWELL},
	address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA},
	abstract = {<p>RIS Metropolis Monte Carlo (RMMC) simulations were used to determine the unperturbed theta-state chain dimensions of atactic stereoconfigurations of poly (2-ethylbutyl methacrylate) [PEBMA]. Root mean-squared end-to-end distance (\&lt; r(2)\&gt;(o)/M)(1/2) and characteristic ratio (Cn) were calculated along with the backbone torsion angle distribution. The simulated properties are in very good agreement with experimental results. The values of the PEBMA chain dimensions are in-between those corresponding ones for poly(n-butyl methacrylate) and poly (n-hexyl methacrylate) thereby showing the effect of branching in the side-chain. (c) 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012</p>},
	keywords = {chain dimensions, conformations, Monte Carlo simulation, poly(2-ethylbutyl methacrylate), vinyl polymer},
	issn = {0021-8995},
	doi = {10.1002/app.35119},
	author = {Karyappa, Rahul B. and Natarajan, Upendra}
}
