Rapid determination of polarizability exaltation in fullerene-based nanostructures von Swart, M, van Duijnen, P. Th

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A molecular dynamics study of the nematic phase of 4-n-pentyl-4′-cyanobiphenyl von Picken, S. J., Van Gunsteren, W. F., Duijnen, P. Th. Van, De Jeu, W. H.

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On the inactivity of thiol-subtilisin. The role of the intramolecular electric field von Van Duijnen, P T

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Molecular integrals in terms of ellipsoidal gaussian-type orbitals von Cook, D.B., van Duijnen, P.Th

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Some factors concerning diels-alder reactivity of hydrocarbons containing unsaturatively bridged small rings von van Duijnen, P.Th, van der Ploeg, P.

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Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model von Jensen, L, Swart, Marcel, van Duijnen, Piet Th

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The direct reaction field hamiltonian: Analysis of the dispersion term and application to the water dimer von Thole, B.T., Van Duijnen, P.Th

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Ab initio molecular orbital studies on the active site of papain von Broer, Ria, van Duijnen, P.Th, Nieuwpoort, W.C.

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AB initio investigations of local anesthetic-phospholipid model membrane interactions von Remko, M., Van Duijnen, P.Th

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On the role of the active site helix in papain, an AB initio molecular orbital study von van Duijnen, P.Th, Thole, B.Th, Hol, W.G.J.

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Quantum Chemistry and Enzymes von Van Duijnen, P.Th

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Theoretical and experimental studies of the opto-electronic properties of positively charged oligo(phenylene vinylene)s: Effects of chain length and alkoxy substitution von Grozema, F. C., Candeias, L. P., Swart, M., van Duijnen, P. Th, Wildeman, J., Hadziioanou, G., Siebbeles, L. D. A., Warman, J. M.

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The α-helix as an ion channel. An ab initio molecular orbital study von Van Duijnen, P.Th, Thole, B.T.

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Density-functional study of the evolution of the electronic structure of oligomers of thiophene: Towards a model Hamiltonian von Telesca, R., Bolink, H., Yunoki, S., Hadziioannou, G., Van Duijnen, P. Th, Snijders, J. G., Jonkman, H. T., Sawatzky, G. A.

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Papain in aqueous solution and the role of Asp-158 in the mechanism: An Ab InitioSCF + DRF + BEM study von Dijkman, J. P., Van Duijnen, P. Th

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Electronic Structure of Thienylene Vinylene Oligomers:  Singlet Excited States, Triplet Excited States, Cations, and Dications von Grozema, F. C, van Duijnen, P. Th, Siebbeles, L. D. A, Goossens, A, de Leeuw, S. W

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Papain in aqueous solution and the role of Asp-158 in the mechanism: AnAb InitioSCF +DRF +BEM study von Dijkman, J. P., Van Duijnen, P. Th

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Ab initio investigations on the local anesthetics procaine, lidocaine and heptacaine von Remko, M., Van Duijnen, P.Th

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Ab initio calculations with small ellipsoidal gaussian basis sets. I von van Duijnen, P.Th, Cook, D.B.

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Ab initio calculations with small ellipsoidal gaussian basis sets. II von van Duijnen, P.Th, Cook, D.B.

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