E-LIB Suche - Ergebnisse für: van Eijck, Bouke P.

1

Report on the sixth blind test of organic crystal structure..:

Reilly, Anthony M. ; Cooper, Richard I. ; Adjiman, Claire S....
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 72 (2016) 4 - p. 439-459 , 2016

Link: https://doi.org/10.1107/..

2

Towards crystal structure prediction of complex organic com..:

Bardwell, David A. ; Adjiman, Claire S. ; Arnautova, Yelena A....
Acta Crystallographica Section B Structural Science. 67 (2011) 6 - p. 535-551 , 2011

Link: https://doi.org/10.1107/..

3

Crystal structure predictions using five space groups with ..:

Van Eijck, Bouke P.
Journal of Computational Chemistry. 23 (2002) 4 - p. 456-462 , 2002

Link: https://doi.org/10.1002/..

4

Crystal Structure Prediction for Six Monosaccharides Revisi..:

van Eijck, Bouke P. ; Mooij, Wijnand T. M. ; Kroon, Jan
The Journal of Physical Chemistry B. 105 (2001) 43 - p. 10573-10578 , 2001

Link: https://doi.org/10.1021/..

5

Ab initio crystal structure predictions for flexible hydrog..:

van Eijck, Bouke P.
Journal of Computational Chemistry. 22 (2001) 8 - p. 816-826 , 2001

Link: https://doi.org/10.1002/..

6

Ab initio crystal structure predictions for flexible hydrog..:

van Eijck, Bouke P. ; Mooij, Wijnand T. M. ; Kroon, Jan
Journal of Computational Chemistry. 22 (2001) 8 - p. 805-815 , 2001

Link: https://doi.org/10.1002/..

7

Ab Initio Crystal Structure Predictions for Flexible Hydrog..:

Mooij, Wijnand T. M. ; van Eijck, Bouke P. ; Kroon, Jan
Journal of the American Chemical Society. 122 (2000) 14 - p. 3500-3505 , 2000

Link: https://doi.org/10.1021/..

8

Comment on "Crystal Structure Prediction by Global Optimiza..:

van Eijck, Bouke P. ; Kroon, Jan
The Journal of Physical Chemistry B. 104 (2000) 33 - p. 8089-8089 , 2000

Link: https://doi.org/10.1021/..

9

Upack program package for crystal structure prediction: For..:

van Eijck, Bouke P. ; Kroon, Jan
Journal of Computational Chemistry. 20 (1999) 8 - p. 799-812 , 1999

Link: https://doi.org/10.1002/..

10

Transferable ab Initio Intermolecular Potentials. 1. Deriva..:

Wijnand T. M. Mooij,* ; van Duijneveldt, Frans B. ; van Duijneveldt-van de Rijdt, Jeanne G. C. M..
The Journal of Physical Chemistry A. 103 (1999) 48 - p. 9872-9882 , 1999

Link: https://doi.org/10.1021/..

11

Transferable ab Initio Intermolecular Potentials. 2. Valida..:

Mooij, Wijnand T. M. ; van Eijck, Bouke P. ; Kroon, Jan
The Journal of Physical Chemistry A. 103 (1999) 48 - p. 9883-9890 , 1999

Link: https://doi.org/10.1021/..

12

Crystal structure predictions for acetic acid:

Mooij, Wijnand T. M. ; van Eijck, Bouke P. ; Price, Sarah L...
Journal of Computational Chemistry. 19 (1998) 4 - p. 459-474 , 1998

Link: https://doi.org/10.1002/..

13

Fast clustering of equivalent structures in crystal structu..:

Van Eijck, Bouke P. ; Kroon, Jan
Journal of Computational Chemistry. 18 (1997) 8 - p. 1036-1042 , 1997

Link: https://doi.org/10.1002/..

14

Molecular dynamics study of conformational equilibria in aq..:

Klewinghaus, Peter ; van Eijck, Bouke P. ; Kouwijzer, Milou L.C.E..
Journal of Molecular Structure: THEOCHEM. 395-396 (1997) - p. 289-295 , 1997

Link: https://doi.org/10.1016/..

15

Coulomb Energy of Polar Crystals:

van Eijck, Bouke P. ; Kroon, Jan
The Journal of Physical Chemistry B. 101 (1997) 6 - p. 1096-1100 , 1997

Link: https://doi.org/10.1021/..