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1-3 of 3 results for supermolecule approach

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Research article

First published 2006-1

Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities. Application to the 3-Methyl-4-Nitropyridine 1-Oxide and 2-Methyl-4-Nitroaniline crystals

Feng Long Gu, Maxime Guillaume, Edith Botek [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2002-8

Elena Bichoutskaia, Matthew P. Hodges, Richard J. Wheatley

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2012-7

Mary C. Salazar, José M. Albornoz, Carlos E. Manzanares [...]

Journal of Computational Methods in Sciences and Engineering