Gradients in the ab initio scalar zeroth-order regular approximation (ZORA) approach von van Lenthe, J.H., Faas, S., Snijders, J.G.

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The ZORA formalism applied to the Dirac-Fock equation von Faas, S., Snijders, J.G., van Lenthe, J.H., van Lenthe, E., Baerends, E.J.

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Spin coupling and resonance von Zielinski, M.L, van Lenthe, J.H

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The basis set superposition error in correlated electronic structure calculations von Gutowski, M., Van Lenthe, J.H., Verbeek, J., Van Duijneveldt, F.B., Chałasinski, G.

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SO2-binding properties of cationic η6,η1-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studies von Bonnet, S.A, van Lenthe, J.H, van Dam, H.J.J, van Koten, G, Klein Gebbink, R.J.M

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Zinc coordination to the bapbpy ligand in homogeneous solutions and at liposomes: zinc detection via fluorescence enhancement von Molenbroek, E, Straathof, N, Dück, S, Rashid, Z, van Lenthe, J.H, Lutz, M, Gandubert, A, Klein Gebbink, R.J.M, De Cola, L, Bonnet, S

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A comparison of approaches to estimate the resonance energy von Zielinski, M.L, Havenith, R.W.A, Jenneskens, L.W, van Lenthe, J.H

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Gas phase adiabatic electron affinities of cyclopenta-fused polycyclic aromatic hydrocarbons von Todorov, P.D, Koper, C, van Lenthe, J.H, Jenneskens, L.W

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In Memory of Jaap G. Snijder (1951-2003) von Broer, R, van Lenthe, J.H

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A valence bond study of the σ and π aromatic species A124 von Havenith, R.W.A, van Lenthe, J.H

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Determining the Structure of Silica-Supported Monomeric Vanadium Oxide Catalysts Based on Synthesis Method and Spectral Data from Theoretical Calculations von van Lingen, J.N.J, Gijzeman, O.L.J, Havenith, R.W.A, van Lenthe, J.H

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An ab initio Valence Bond Study on Cyclopenta-Fused Naphthalenes and Fluoranthenes von Havenith, R.W.A, van Lenthe, J.H, Jenneskens, L.W

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Note on the Calculation of Analytical Hessians in the Zeroth-Order Regular Approximation (ZORA) von van Lenthe, J.H, van Lingen, J.N.J

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On the umbrella model for supported vanadium oxide catalysts von van Lingen, J.N.J, Gijzeman, O.L.J, Weckhuysen, B.M, van Lenthe, J.H

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Starting SCF Calculations by Superposition of Atomic Densities von van Lenthe, J.H, Zwaans, R, van Dam, H.J.J, Guest, M.F

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On the interpretation of valence bond wavefunctions von Havenith, R.W.A, van Lenthe, J.H, Jenneskens, L.W, Engelberts, J.J

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Multireference coupled electron-pair approximations to the multireference coupled cluster method. The MR-CEPA1 method von Ruttink, P.J.A, van Lenthe, J.H, Todorov, P.D

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An accurate ab initio calculation of the He2 potential curve von VAN LENTHE, J. H, VOS, R. J, VAN DUIJNEVELDT-VAN DE RIJDT, J. G. C. M, VAN DUIJNEVELDT, F. B

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On the structure of cross-conjugated 2,3-diphenylbutadiene von van Walree, C.A, van der Wiel, B.C, Jenneskens, L.W, Lutz, M, Spek, A.L, Havenith, R.W.A, van Lenthe, J.H

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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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