Piet van Duijnen
Affiliations: | Chemistry | University of Groningen, Groningen, Netherlands |
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"Piet van Duijnen"Bio:
P.T. van Duijnen at the Album Academicum of the University of Amsterdam
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Parents
Sign in to add mentor| Wim C. Nieuwpoort | grad student | 1972 | Amsterdam | |
(Ellipsoidal Gaussian orbitals in approximate ab initiocalculations in poly-atomic molecules.) | ||||
Children
Sign in to add trainee| Marcel Swart | research assistant | 1993-1997 | RUG |
| Lasse Jensen | grad student | 2004 | RUG |
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Publications
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| van Duijnen PT, Greene SN, Richards NG. (2007) Time-dependent density functional theory/discrete reaction field spectra of open shell systems: The visual spectrum of [FeIII(PyPepS)2]- in aqueous solution. The Journal of Chemical Physics. 127: 045105 |
| Van Duijnen PT, Netzel TL. (2006) Explicit solvent DRF INDOs/CIS computations of charge transfer state energetics in a pyrenyldeoxyuridine nucleoside model. The Journal of Physical Chemistry. A. 110: 2204-13 |
| Jensen L, van Duijnen PT. (2005) The first hyperpolarizability of p-nitroaniline in 1,4-dioxane: a quantum mechanical/molecular mechanics study. The Journal of Chemical Physics. 123: 074307 |
| Grozema FC, Swart M, Zijlstra RW, et al. (2005) QM/MM study of the role of the solvent in the formation of the charge separated excited state in 9,9'-bianthryl. Journal of the American Chemical Society. 127: 11019-28 |
| Jensen L, Swart M, van Duijnen PT. (2005) Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model. The Journal of Chemical Physics. 122: 34103 |