On the irrelevance of electrostatics for the crystal structures and polymorphism of long evenn-alkanes
- 26 December 2001
- journal article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 23 (3) , 365-370
- https://doi.org/10.1002/jcc.10028
Abstract
No abstract availableKeywords
This publication has 9 references indexed in Scilit:
- A new method for deriving atomic charges and dipoles forn, -alkanes: investigation of transferability and geometry dependenceMolecular Physics, 1999
- Failure of net atomic charge models to represent the van der Waals envelope electric potential of n‐alkanesJournal of Computational Chemistry, 1994
- DREIDING: a generic force field for molecular simulationsThe Journal of Physical Chemistry, 1990
- Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysisJournal of Computational Chemistry, 1990
- Determination of partial atomic charges from ab initio molecular electrostatic potentials. Application to formamide, methanol, and formic acidThe Journal of Physical Chemistry, 1978
- Polytypic structures of n-C28H58 (octacosane) and n-C36H74 (hexatriacontane)Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1976
- Prediction of unit cells and atomic coordinates for the n-alkanesActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1973
- Normal AlkanesProduct R&D, 1971
- The principle of close packing and the condition of thermodynamic stability of organic crystalsActa Crystallographica, 1965