Dr. R.W.A. Havenith

2003
Havenith, R.W.A., Jenneskens, L.W., Fowler, P.W. & Steiner, E. The diatropic s ring currents of [p2s + p2s + p2s] pericyclic transition states. Chem. Commun.Chem. Commun. 748-749 (2003).
Havenith, R.W.A., Fowler, P.W. & Steiner, E. Paratropic ring currents in cubane. Chem. Phys. Lett.Chem. Phys. Lett. 371, 276-283 (2003).
Soncini, A., Steiner, E., Fowler, P.W., Havenith, R.W.A. & Jenneskens, L.W. Perimeter effects on ring currents in polycyclic aromatic hydrocarbons: circumcoronene and two hexabenzocoronenes. Chem. Eur. J.Chem. Eur. J. 9, 2974-2981 (2003).
Oosterbaan, W.D., et al. Photoinduced charge separation in cyclohexylidene-based donor-(sigma-bridge)-acceptor compounds - building blocks for materials. Eur. J. Org. Chem.Eur. J. Org. Chem. 3117-3130 (2003).
Havenith, R.W.A., Jenneskens, L.W. & Fowler, P.W. Ring currents that survive bond alternation in constrained 8p and 6p monocycles. Chem. Phys. Lett.Chem. Phys. Lett. 367, 468-474 (2003).
Butts, C.P., Havenith, R.W.A., Jazdzyk, M., Drewello, T. & Kotsiris, S. The structure and first 1H NMR spectral assignment of piperazine-C60 adducts. Tetrahedron Lett.Tetrahedron Lett. 44, 3565-3567 (2003).
Havenith, R.W.A., Fowler, P.W., Jenneskens, L.W. & Steiner, E. Trimerization of ethyn: growth and evolution of ring currents in the formation of the benzene ring. J. Phys. Chem. AJ. Phys. Chem. A 107, 1867-1871 (2003).
Dijkstra, F., van Lenthe, J.H., Havenith, R.W.A. & Jenneskens, L.W. Valence Bond descriptions of benzene and cyclobutadiene and their localised counterparts with localised bonds. Int. J. Quantum Chem.Int. J. Quantum Chem. 91, 566-574 (2003).
2002
van Lenthe, J.H., Havenith, R.W.A., Dijkstra, F. & Jenneskens, L.W. 1,3,5-cyclohexatriene captured in computro; the importance of resonance. Chem. Phys. Lett.Chem. Phys. Lett. 361, 203-208 (2002).
Soncini, A., Havenith, R.W.A., Fowler, P.W., Jenneskens, L.W. & Steiner, E. Control of the diatropic p ring current in strained benzenes: effects of annelation with cyclopropa-, cyclobuta- and cyclobutadieno-clamping groups. J. Org. Chem.J. Org. Chem. 67, 4753-4758 (2002).
Steiner, E., Fowler, P.W. & Havenith, R.W.A. Current densities of localized and delocalized electrons in molecules. J. Phys. Chem. AJ. Phys. Chem. A 106, 7048-7056 (2002).
Steiner, E., Fowler, P.W., Jenneskens, L.W. & Havenith, R.W.A. Local and Global Paratropic and Diatropic Ring Currents in Pyrene and its Cyclopenta-Fused Congeners. Eur. J. Org. Chem.Eur. J. Org. Chem. 163-169 (2002).
Fowler, P.W., Havenith, R.W.A., Jenneskens, L.W., Soncini, A. & Steiner, E. Paratropic Delocalised Ring Currents in Flattened Cyclooctatetraene Systems with Bond Alternation. Angew. Chem. Int. Ed. Engl.Angew. Chem. Int. Ed. Engl. 41, 1558-1560 (2002).
Fowler, P.W., Havenith, R.W.A. & Steiner, E. Ring current and electron delocalisation in an all-metal cluster, Al42-. Chem. Phys. Lett.Chem. Phys. Lett. 359, 530-536 (2002).
Havenith, R.W.A., Lugli, F., Fowler, P.W. & Steiner, E. Ring current patterns in annelated bi-cyclic systems. J. Phys. Chem. AJ. Phys. Chem. A 106, 5703-5708 (2002).
Havenith, R.W.A., Fowler, P.W. & Steiner, E. Ring currents in a proposed system containing planar hexacoordinate carbon, CB62-. Chem. Eur. J.Chem. Eur. J. 8, 1068-1073 (2002).
Havenith, R.W.A., Rassat, A. & Fowler, P.W. Selection rules for ring currents in radial p systems: trannulene substructures in hydrogenated fullerene cages. J. Chem. Soc. Perkin Trans. 2 723-727 (2002).
Acocella, A., Havenith, R.W.A., Steiner, E., Fowler, P.W. & Jenneskens, L.W. A simple model for counter-rotating ring currents in [n]circulene. Chem. Phys. Lett.Chem. Phys. Lett. 363, 64-72 (2002).
Havenith, R.W.A., et al. Stability and aromaticity of the cyclopentafused pyrene congeners. J. Am. Chem. Soc.J. Am. Chem. Soc. 124, 2363-2370 (2002).
Havenith, R.W.A., Fowler, P.W. & Steiner, E. Substituent effects on induced current densities in penta- and heptafulvenes. J. Chem. Soc., Perkin Trans. 2 502-507 (2002).
van Lenthe, J.H., Dijkstra, F. & Havenith, R.W.A. TURTLE - A gradient VBSCF Program. Theory and Studies of Aromaticity. Valence Bond Theory 10, 79-112 (2002).

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