Comparison of geometries and electronic structures of polyacetylene, polyborole, polycyclopentadiene, polypyrrole, polyfuran, polysilole, polyphosphole, polythiophene, polyselenoph... von Salzner, U., Lagowski, J.B., Pickup, P.G., Poirier, R.A.

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Accurate Method for Obtaining Band Gaps in Conducting Polymers Using a DFT/Hybrid Approach von Salzner, U, Pickup, P. G, Poirier, R. A, Lagowski, J. B

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Configuration interaction study of singlet excited state of thiophene and its cyano derivative oligomers von Chakraborty, D., Lagowski, J. B.

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Theoretical Analysis of Effects of π-Conjugating Substituents on Building Blocks for Conducting Polymers von Salzner, Ulrike, Lagowski, J. B, Pickup, P. G, Poirier, R. A

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Design of low band gap polymers employing density functional theory-hybrid functionals ameliorate band gap problem von Salzner, U., Lagowski, J. B., Pickup, P. G., Poirier, R. A.

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Ab initio studies on the structure, conformation, and chain flexibility of halogenated poly(thionylphosphazenes) von Jaeger, R, Lagowski, J. B, Manners, I, Vancso, G. J

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Geometry relaxation in singlet excited states of oligomers containing cyclopentadiene and fulvene and their cyano derivatives von Chakraborty, D., Lagowski, J.B.

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An analysis of local and gradient-corrected correlation energy functionals using electron removal energies von Lagowski, J B, Vosko, S H

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Stiff chain model-functional integral approach von LAGOWSKI, J. B, NOOLANDI, J, NICKEL, B

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Ab initio study of phospholipid headgroups: GPE and GPC von Li, W., Lagowski, J.B.

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Ground states of Ca- and Sc- from two theoretical points of view von FISCHER, C. F, LAGOWSKI, J. B, VOSKO, S. H

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Geometry relaxation in singlet excited states of oligomers containing cyclopentadiene and fulvene and their cyano derivatives : Modeling of chain conformations and spatial configur... von CHAKRABORTY, D, LAGOWSKI, J. B

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Theoretical study of even- and odd-parity states in La- and Ac- : evidence for the uniqueness of La von VOSKO, S. H, LAGOWSKI, J. B, MAYER, I. L, CHEVARY, J. A

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Polystyrene models. III. modeling backbone/side-group interactions by an ab initio study of 2,4-diphenylpentane von Lagowski, J. B., Vancso, G. J.

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Polystyrene models. II. Ab initio study of isobutylbenzene von Lagowski, J. B., Csizmadia, I. G., Vancso, G. J.

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Ab initio study of the structures of polythionylphosphazene molecular mimics with H, Cl, and CH3 side groups: 3-21G and 6-31G Basis sets comparison von Lagowski, J. B., Jaeger, R.

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Ab initio study of the structures of polythionylphosphazene molecular mimics with H, Cl, and CH 3 side groups: 3‐21 G and 6‐31 G Basis sets comparison von Lagowski, J. B., Jaeger, R.

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Conformational study of halogen- and hydrogen-substituted polythionylphosphazenes using density functional theory method von Raja, A. V., Lagowski, J. B.

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Modelling thionylphosphazene polymers with short model compounds von Raja, A.V, Lagowski, J.B

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Ab initio study of the structure of poly[di(phenoxy)thionylphosphazene] von Lagowski, J.B., Jaeger, R., Manners, I., Vancso, G.J.

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