Capturing the elusive aromaticity of bicalicene von Oziminski, W. P, Palusiak, M, Dominikowska, J, Krygowski, T. M, Havenith, R. W. A, Gibson, C. M, Fowler, P. W

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Current Densities of Localized and Delocalized Electrons in Molecules von Steiner, E, Fowler, P. W, Havenith, R. W. A

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GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems von Straatsma, T. P., Broer, R., Faraji, S., Havenith, R. W. A., Suarez, L. E. Aguilar, Kathir, R. K., Wibowo, M., de Graaf, C.

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NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations von de Wijs, G. A., Laskowski, R., Blaha, P., Havenith, R. W. A., Kresse, G., Marsman, M.

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Current density, chemical shifts and aromaticity von Fowler, P. W., Steiner, E., Havenith, R. W. A., Jenneskens, L. W.

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Density functional study on the morphology and photoabsorption of CdSe nanoclusters von Del Ben, M, Havenith, R W A, Broer, R, Stener, M

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NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations von de Wijs, G A, Laskowski, R, Blaha, P, Havenith, R W A, Kresse, G, Marsman, M

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A simple model for counter-rotating ring currents in [ n]circulenes von Acocella, A, Havenith, R.W.A, Steiner, E, Fowler, P.W, Jenneskens, L.W

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Delocalization in valence bond-Hyperconjugation von Havenith, R. W. A., van Lenthe, J. H.

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Quantum Chemical Calculation of Molecules in Magnetic Field von Date, Mihir, Havenith, R. W. A

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1,3,5-Cyclohexatriene captured in computro; the importance of resonance von van Lenthe, J.H., Havenith, R.W.A., Dijkstra, F., Jenneskens, L.W.

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Quantum Chemical Calculation of Molecules in Magnetic Field von Date, Mihir, Havenith, R W A

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Ring current and electron delocalisation in an all-metal cluster, Al2-4 von FOWLER, P. W, HAVENITH, R. W. A, STEINER, E

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Study of the Si fullerene cage isomers von Fthenakis, Z G, Havenith, R W A, Menon, M, Fowler, P W

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Unconventional ring currents in an 'all-metal aromatic', Al42 von FOWLER, P. W, HAVENITH, R. W. A, STEINER, E

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Evolution of atomic optical selection rules upon gradual symmetry lowering von Lof, G. J. J, van der Wal, C. H, Havenith, R. W. A

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Survival and extinction of delocalized ring currents in clamped benzenes von Fowler, P W, Havenith, R W, Jenneskens, L W, Soncini, A, Steiner, E

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Long-Range σ−π Interactions in Tetrahydro-4H-thiopyran End-Capped Oligo(cyclohexylidenes). Photo-Electron Spectroscopy, ab Initio SCF MO Calculations, and Natural Bond Orbital Anal... von Marsman, Albert W, Havenith, Remco W. A, Bethke, Sabine, Jenneskens, Leonardus W, Gleiter, Rolf, van Lenthe, Joop H, Lutz, Martin, Spek, Anthony L

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Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s von de Groot, M J, Havenith, R W, Vinkers, H M, Zwaans, R, Vermeulen, N P, van Lenthe, J H

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Condensation reactions of α-amino-zincenamines with aldehydes; Application to indolizines von Wissing, Elmo, Havenith, Remco W.A., Boersma, Jaap, van Koten, Gerard

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