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Journal of Computational Chemistry|January 27, 2012
On the efficiency of VBSCF algorithms, a comment on "An efficient algorithm for energy gradients and orbital optimization in valence bond theory"J H van Lenthe, H B Broer-Braam, Z RashidJournal of Computational Chemistry|March 25, 2006
Starting SCF calculations by superposition of atomic densitiesJ H Van Lenthe, R Zwaans, H J J Van Dam, et al.Inorganic Chemistry|August 21, 2001
Metal-to-ligand electron transfer in diiminopyridine complexes of Mn-Zn. A theoretical studyP H Budzelaar, B de Bruin, A W Gal, et al.Molecular Pharmacology|March 1, 1990
Mechanisms of activation of phenacetin to reactive metabolites by cytochrome P-450: a theoretical study involving radical intermediatesL Koymans, J H Van Lenthe, G M Donné-op Den Kelder, et al.Journal of Computer-Aided Molecular Design|October 1, 1996
The agonistic binding site at the histamine H2 receptor. I. Theoretical investigations of histamine binding to an oligopeptide mimicking a part of the fifth transmembrane alpha-helixP H Nederkoorn, J H van Lenthe, H van der Goot, et al.Chemical Research in Toxicology|January 1, 1989
A theoretical study on the metabolic activation of paracetamol by cytochrome P-450: indications for a uniform oxidation mechanismL Koymans, J H van Lenthe, R van de Straat, et al.Journal of Computer-Aided Molecular Design|August 5, 1998
Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450sM J de Groot, R W Havenith, H M Vinkers, et al.Chemical Research in Toxicology|April 1, 1995
Metabolite predictions for para-substituted anisoles based on ab initio complete active space self-consistent field calculationsM J de Groot, G M Donné-Op den Kelder, J N Commandeur, et al.Free Radical Biology & Medicine|January 1, 1997
Chemical and quantum mechanical studies of the free radical C-C bond formation in the lipoxygenase-catalyzed dimerisation of octodeca-9,12-diynoic acidW F Nieuwenhuizen, J H van Lenthe, E J Blomsma, et al.Netherlands Heart Journal : Monthly Journal of the Netherlands Society of Cardiology and the Netherlands Heart Foundation|May 10, 2022
Prediction of prognosis in patients with left ventricular dysfunction using three-dimensional strain echocardiography and cardiac magnetic resonance imagingM F A Aly, S A Kleijn, J H van Lenthe, et al.Pageof 2