J. -. Lenthe

发表

Disrotatory versus conrotatory electrocyclic ring opening of Dewar benzene: the conrotatory pathway is preferred and does not involve trans-benzene

J. V. Lenthe, R. Havenith, L. W. Jenneskens, 1999 .

An Introduction to Quantumchemical Organometallic Chemistry

J. V. Lenthe, P. Budzelaar, J. -. Lenthe, 1995 .

A new model for the molecular structure of supported vanadium oxide catalysts

D. E. Keller, B. Weckhuysen, S. J. Tinnemans, 2004 .

The impact of higher polarization functions of second-order dispersion energy. Partial wave expansion and damping phenomenon for He2☆

M. Gutowski, J. V. Lenthe, G. Chałasiński, 1987 .

Benchmark full configuration interaction calculations on the helium dimer

J. V. Lenthe, T. Mourik, J. -. Lenthe, 1995 .

State of the Art in Counterpoise Theory

J. V. Lenthe, Jeanne G. C. M. van Duijneveldt-van de Rijdt, Joop H. van Lenthe, 1994 .

Starting SCF calculations by superposition of atomic densities

Huub J. J. Van Dam, J. H. Van Lenthe, R. Zwaans, 2006, J. Comput. Chem..

Convergence and efficiency of the valence bond self-consistent field method

Peter Pulay, J. H. van Lenthe, P. Pulay, 1991 .

Parallelism in computational chemistry

Martyn F. Guest, Paul Sherwood, J. H. van Lenthe, 1993 .

Compact valence bond functions with breathing orbitals: Application to the bond dissociation energies of F2 and FH

Philippe C. Hiberty, Stéphane Humbel, P. Hiberty, 1994 .

The valence‐bond self‐consistent field method (VB–SCF): Theory and test calculations

J. H. van Lenthe, J. V. Lenthe, G. G. Balint-Kurti, 1983 .

The valence-bond scf (VB SCF) method.: Synopsis of theory and test calculation of oh potential energy curve

J. H. van Lenthe, G. G. Balint-Kurti, J. -. Lenthe, 1980 .

Perturbation theoretical vs supermolecule calculations on intermolecular interactions

P. Surján, R. Poirier, J. V. Lenthe, 1990 .

Abinitio calculations on the He–O2 potential energy surface. Hartree–Fock instability of O2

J. V. Lenthe, F. B. Duijneveldt, J. -. Lenthe, 1984 .

A comparison of approaches to estimate the resonance energy

J. V. Lenthe, R. Havenith, L. W. Jenneskens, 2010 .

THE BASIS SET SUPERPOSITION ERROR IN CORRELATED ELECTRONIC STRUCTURE CALCULATIONS

M. Gutowski, J. V. Lenthe, G. Chałasiński, 1986 .

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 α-helix

Paul H. J. Nederkoorn, Joop H. van Lenthe, Gabriëlle M. Donné-Op den Kelder, 1996, J. Comput. Aided Mol. Des..

Localisation and reversal of paratropic ring currents in molecules with formal anti-aromatic electron countsPresented at the ESF Exploratory Workshop: New Perspectives on Aromaticity, Exeter, UK, July 5?9, 2003.

Patrick W. Fowler, Paolo Lazzeretti, Remco W. A. Havenith, 2004 .

Accuracy of the Boys and Bernardi function counterpoise method

Maciej Gutowski, M. Gutowski, J. V. Lenthe, 1993 .

An analysis of the partial wave expansion of the dispersion energy for Ne2

J. V. Lenthe, G. Chałasiński, Th. P. Groen, 1984 .

Flash vacuum thermolysis of acenaphtho[1,2-a]acenaphthylene, fluoranthene, benzo[k]- and benzo[j]fluoranthene - Homolytic scission of carbon-carbon single bonds of internally fused cyclopenta moieties at T >= 1100 degrees C

Huibert Cornelis Kwint, John F. Wesseling, R. Havenith, 1999 .

Valence Bond Theory in Heterocyclic Chemistry

J. V. Lenthe, R. Havenith, R. Broer, 2014 .

TURTLE - A gradient VBSCF Program. Theory and Studies of Aromaticity

J. H. van Lenthe, Fokke Dijkstra, Remco W. A. Havenith, 2002 .

Valence bond descriptions of benzene and cyclobutadiene and their counterparts with localized bonds

J. V. Lenthe, F. Dijkstra, R. Havenith, 2002 .

Ruthenium-to-Platinum Interactions in η6,η1 NCN-Pincer Arene Heterobimetallic Complexes: An Experimental and Theoretical Study

G. Koten, A. Spek, J. V. Lenthe, 2010 .

ON THE EVALUATION OF NON-ORTHOGONAL MATRIX ELEMENTS

J. V. Lenthe, Joop H. van Lenthe, J. Verbeek, 1991 .

An ab initio two-component relativistic method including spin- orbit coupling using the regular approximation

J. G. Snijders, J. V. Lenthe, A. C. Hennum, 2000 .

The ZORA formalism applied to the Dirac-Fock equation

J. H. van Lenthe, Evert Jan Baerends, J. G. Snijders, 1995 .

Large scale electronic structure calculations in the study of the condensed phase

Ian J. Bush, Paul Sherwood, J. H. van Lenthe, 2006 .

Metal-to-ligand electron transfer in diiminopyridine complexes of Mn-Zn. A theoretical study.

J. H. van Lenthe, K. Wieghardt, B. de Bruin, 2001, Inorganic chemistry.

Software news and updates

Joop H. van Lenthe, Fokke Dijkstra, J. V. Lenthe, 2001, J. Comput. Chem..

Gas phase adiabatic electron affinities of cyclopenta-fused polycyclic aromatic hydrocarbons

J. V. Lenthe, L. W. Jenneskens, C. Koper, 2008 .

Orbital interactions expressed in resonance structures: An approach to compute stabilisation of cyclobutanediyl diradicals

J. V. Lenthe, R. Havenith, L. W. Jenneskens, 2006 .

Quantum chemical calculations on the electrical double layer at the metal/vacuum interface: Part I. Hartree-Fock cluster descriptions

J. V. Lenthe, J. H. Sluyters, A.L.G. van den Eeden, 1986 .