M. Nardelli
Jun 1, 1999
Citations
6
Influential Citations
269
Citations
Quality indicators
Journal
Journal of Applied Crystallography
Abstract
The coordinates of hydroxyl (alcohol, phenol, etc.) and water H atoms can be easily calculated, within acceptable approximation, by combined geometric and force-field calculations on the basis of hydrogen-bonding interactions. To perform this kind of calculation the computer program HYDROGEN has been developed.