van Duijneveldt, Frans B.: search on Z-Library

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1

State of the Art in Counterpoise Theory

van Duijneveldt, Frans B., van Duijneveldt-van de Rijdt, Jeanne G. C. M., van Lenthe, Joop H.

Journal:

Chemical Reviews

Year:

1994

Language:

english

File:

PDF, 2.67 MB

english, 1994

2

Methods for the calculation of Voh in OHO hydrogen bonds

Jeanne G.C.M. van Duijneveldt-van de Rijdt, Frans B. van Duijneveldt

Journal:

Journal of Computational Chemistry

Year:

1992

Language:

english

File:

PDF, 978 KB

english, 1992

3

Transferable ab Initio Intermolecular Potentials. 1. Derivation from Methanol Dimer and Trimer Calculations

van Duijneveldt, Frans B., van Duijneveldt-van de Rijdt, Jeanne G. C. M., van Eijck, Bouke P.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 153 KB

english, 1999

4

Reductive activation and radical formation in a series of substituted benzoquinones: Thermodynamic and quantum chemical studies

Lambert H.M. Janssen, Anneloes L. van Til, Frans B. van Duijneveldt

Journal:

Journal of Electroanalytical Chemistry

Year:

1992

Language:

english

File:

PDF, 1.43 MB

english, 1992

5

Ab initio potential energy surface for the low-frequency out-of-plane bending motions of the water trimer

Jeanne G.C.M. van Duijneveldt-van de Rijdt, Frans B. van Duijneveldt

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 566 KB

english, 1995

6

A converged calculation of the energy barrier to internal rotation in the ethylene–sulfur dioxide dimer

Resende, Stella M., De Almeida, Wagner B., van Duijneveldt-van de Rijdt, Jeanne G. C. M., van Duijneveldt, Frans B.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 302 KB

english, 2001

7

ChemInform Abstract: STOERUNGSBERECHNUNGEN DER WASSERSTOFFBINDUNGEN ZWISCHEN EINIGEN ATOMEN DER ZWEITEN REIHE

VAN DUIJNEVELDT-VAN DE RIJDT, JEANNE G., VAN DUIJNEVELDT, FRANS B.

Journal:

Chemischer Informationsdienst

Year:

1972

File:

PDF, 128 KB

1972

8

Perturbation calculations on the hydrogen bonds between some first-row atoms

Van Duijneveldt-Van de Rijdt, Jeanne G. C. M., Van Duijneveldt, Frans B.

Journal:

Journal of the American Chemical Society

Year:

1971

Language:

english

File:

PDF, 1.13 MB

english, 1971

9

Double-exchange contributions to the first-order interaction energy between closed-shell molecules

Jeanne G.C.M. Van duijneveldt-van de rijdt, Frans B. Van duijneveldt

Journal:

Chemical Physics Letters

Year:

1972

Language:

english

File:

PDF, 286 KB

english, 1972

10

The theoretical growth morphology of calcium oxalate dihydrate

Wim M.M. Heijnen, Frans B. Van Duijneveldt

Journal:

Journal of Crystal Growth

Year:

1984

Language:

english

File:

PDF, 977 KB

english, 1984

11

Rotational isomemsm in difluoroacetyl fluoride: Part II. AB initio calculations

Magda M. Zaalberg, Frans B. Van Duijneveldt

Journal:

Journal of Molecular Structure

Year:

1977

Language:

english

File:

PDF, 722 KB

english, 1977

12

An ab initio molecular orbital theory study of the structure and stability of the hydrogen bridged radical cation molecule pairs [CH 2 CHOH—OH 2 ] +• and [CH 2 CHOH—OHCH 3 ] +•

Postma, Ron, Ruttink, Paul J. A., Duijneveldt, Frans. B. Van, Terlouw, Johan K., Holmes, John L.

Journal:

Canadian Journal of Chemistry

Year:

1985

Language:

english

File:

PDF, 443 KB

english, 1985

13

Ab initio calculations on weakly bonded systems

van Lenthe, Joop H., van Dam, Teus, van Duijneveldt, Frans B., Kroon-Batenburg, Loes M. J.

Journal:

Faraday Symposia of the Chemical Society

Year:

1984

Language:

english

File:

PDF, 842 KB

english, 1984

14

Ab initio calculations on the geometry and OH vibrational frequency shift of cyclic water trimer

Jeanne G.C.M. van Duijneveldt-van de Rijdt, Frans B. van Duijneveldt

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.06 MB

english, 1993

15

Reductive activation and radical formation in a series of substituted benzoquinones: Thermodynamic and quantum chemical studies

Lambert H.M. Janssen, Anneloes L. van Til, Frans B. van Duijneveldt

Journal:

Bioelectrochemistry and Bioenergetics

Year:

1992

Language:

english

File:

PDF, 1.18 MB

english, 1992

16

Removal of dependencies from nearly complete basis sets. Calculations on the helium dimer

Tanja van Mourik, Robert Jan Vos, Joop H. van Lenthe, Frans B. van Duijneveldt

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 169 KB

english, 1997

17

Ab initio calculations of exchange repulsion between two Ar atoms

Chałasiński, Grzegorz, van Smaalen, Sander, van Duijneveldt, Frans B.

Journal:

Molecular Physics

Year:

1982

Language:

english

File:

PDF, 461 KB

english, 1982

18

Hartree—Fock and MCSCF calculations on the cis—trans isomerism of formic acid

Joop H. Van Lenthe, Frans B. Van Duijneveldt, Mathieu M.M. Van Schaik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 576 KB

english, 1982

19

Perturbation calculations on the variation of hydrogenbond energies with intermolecular distance

Jeanne G.C.M. Van Duijneveldt-van de Rijdt, Frans B. Van Duijneveldt

Journal:

Chemical Physics Letters

Year:

1968

Language:

english

File:

PDF, 353 KB

english, 1968

20

Proper correction for the basis set superposition error in SCF calculations of intermolecular interactions

Gutowski, Maciej, Van Duijneveldt, Frans B., Chałasiński, Grzegorz, Piela, Lucjan

Journal:

Molecular Physics

Year:

1987

Language:

english

File:

PDF, 914 KB

english, 1987

21

Preferred gauche conformation in N-(2-aminoethyl)pyridinium ions

Johannes A.S.J. Razenberg, Roeland J.M. Nolte, Wiendelt Drenth, Jan A. Kanters, Frans B. Van Duijneveldt

Journal:

Journal of Molecular Structure

Year:

1984

Language:

english

File:

PDF, 412 KB

english, 1984

22

Gaussian basis sets which yield accurate Hartree—Fock electric moments and polarizabilities

Jeanne G.C.M. Van Duijneveldt-Van De Rijdt, Frans B. Van Duijneveldt

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 1.11 MB

english, 1982

23

Accuracy of the Boys and Bernardi function counterpoise method

Gutowski, Maciej, van Duijneveldt-van de Rijdt, Jeanne G. C. M., van Lenthe, Joop H., van Duijneveldt, Frans B.

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.10 MB

english, 1993

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