Accurate Method for Obtaining Band Gaps in Conducting Polymers Using a DFT/Hybrid Approach
Salzner, U, Pickup, P. G, Poirier, R. A, Lagowski, J. B
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.04.1998)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.04.1998)
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Theoretical Analysis of Effects of π-Conjugating Substituents on Building Blocks for Conducting Polymers
Salzner, Ulrike, Lagowski, J. B, Pickup, P. G, Poirier, R. A
Published in Journal of organic chemistry (01.10.1999)
Published in Journal of organic chemistry (01.10.1999)
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Ab initio study of the structure of poly[di(phenoxy)thionylphosphazene]
Lagowski, J.B., Jaeger, R., Manners, I., Vancso, G.J.
Published in Journal of molecular structure. Theochem (10.09.1995)
Published in Journal of molecular structure. Theochem (10.09.1995)
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Chemical bond as a test of density-gradient expansions for kinetic and exchange energies
Perdew, JP, Levy, M, Painter, GS, Wei, S, Lagowski, JB
Published in Physical review. B, Condensed matter (15.01.1988)
Published in Physical review. B, Condensed matter (15.01.1988)
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Electronic structure properties of fluorene-phenylene monomer and its derivatives: TD-DFT study
Gong, Zhijun, Lagowski, Jolanta B.
Published in Journal of molecular structure. Theochem (30.09.2005)
Published in Journal of molecular structure. Theochem (30.09.2005)
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