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Application of standard DFT theory for nonbonded interactions in soft matter: Prototype study of poly‐para‐phenylene

Marcelo Alves‐Santos, Liliana Y. A. Dávila, Helena M. Petrilli, Rodrigo B. Capaz and Marília J. Caldas
Journal of Computational Chemistry 27 (2) 217 (2006)
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Ab initiocalculations of structural and dynamical properties ofpoly(p-phenylene) and poly(p-phenylene vinylene)

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An atomistic simulation of the effect of pressure on conductive polymers

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Modelling of structural and physicomechanical properties of poly-paraphenylene using molecular orbital and molecular mechanical methods

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Synthetic Metals 108 (3) 223 (2000)
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First-principles studies of the structural and optical properties of crystalline poly(para-phenylene)

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An electrostatic investigation of the motion of alkali metal cations through polyacetylene

J. Corish, V.C.A. Hanratty, D.A. Morton-Blake and F. Bénière
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Electrical and optical properties of FeCl_{3}-doped polyparaphenylene [(p-C_{6}H_{4})_{x}]

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