@article { ISI:000230698100036,
	title = {Optimization of nonlinear optical properties by substituent position, geometry and symmetry of the molecule: an ab initio study},
	journal = {Journal of Physical Chemistry B},
	volume = {109},
	number = {29},
	year = {2005},
	month = {JUL},
	pages = {14093-14101},
	publisher = {AMER CHEMICAL SOC},
	type = {Article},
	address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA},
	abstract = {<p>Static polarizability and first- and second-order hyperpolarizability tensors are computed at the correlated level for a series of para-nitroaniline derivatives. The importance of including electron correlation effects in the determination of equilibrium structure and the molecular properties is investigated. A qualitative description of the substitution effects, planarity, and symmetric effect of the molecule on the molecular susceptibility is discussed.</p>},
	issn = {1520-6106},
	doi = {10.1021/jp051355d},
	author = {Davis, D and Sreekumar, K and Sajeev, Y and Pal, S}
}
