화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Crystal structure prediction for six monosaccharides revisited
van Eijck BP, Mooij WTM, Kroon J
Journal of Physical Chemistry B, 105(43), 10573, 2001
2 Comment on "Crystal structure prediction by global optimization as a tool for evaluating potentials: Role of the dipole moment correction term in successful predictions"
van Eijck BP, Kroon J
Journal of Physical Chemistry B, 104(33), 8089, 2000
3 Ab initio crystal structure predictions for flexible hydrogen-bonded molecules
Mooij WTM, van Eijck BP, Kroon J
Journal of the American Chemical Society, 122(14), 3500, 2000
4 Transferable ab initio intermolecular potentials. 1. Derivation from methanol dimer and trimer calculations
Mooij WTM, van Duijneveldt FB, van Duijneveldt-van de Rijdt JGCM, van Eijck BP
Journal of Physical Chemistry A, 103(48), 9872, 1999
5 Transferable ab initio intermolecular potentials. 2. Validation and application to crystal structure prediction
Mooij WTM, van Eijck BP, Kroon J
Journal of Physical Chemistry A, 103(48), 9883, 1999