## Abstract The empirical potential, EPEN, has been used to establish the structures of isolated hydrogenโbonded clusters in methanol. The most stable configuration of the dimer is found to have a trans nearโlinear form, whereas the most stable forms of the trimer and tetramer are cyclic. Charge in
Studies in hydrogen bonding: Association in ammonia using an empirical potential
โ Scribed by George Brink; Leslie Glasser
- Book ID
- 102306254
- Publisher
- John Wiley and Sons
- Year
- 1981
- Tongue
- English
- Weight
- 404 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
โฆ Synopsis
Abstract
The empirical potential EPEN/2 has been used to establish the structures of isolated hydrogenโbonding ammonia clusters. The most stable forms of the dimer have a linear or nearโlinear structure. The trimer has a closed structure with zero dipole moment. Two stable tetramer forms were found: one with a closed structure and zero dipole moment in agreement with experimental findings, and one with a pyramidal structure with nonzero dipole moment which may be an artifact of the EPEN/2 potential. The relation of the dimer structures to the limited available experimental information is discussed.
๐ SIMILAR VOLUMES
## Abstract An empirical potential EPEN has been used to find the stable geometries and approximate hydrogenbond energies of the mixed dimers formed between molecules of water, methanol, ammonia, and methylamine. These results are compared with results in the literature obtained using __ab initio__
## Abstract The geometries of the dimer, trimer, and tetramer hydrogenโbonded clusters of water, methanol, and ammonia molecules have been derived using previously published intermolecular pair potentials containing constants optimized from __ab initio__ calculations. The lowest energy forms for th
The capture probabditg of stopped -r-mesons by hydrogen atoms of ammonu mcrases wrth temperature m the hqwd phase but in the supercntreal phase it is tempcraturc-mdependent. Tbls cm be altriiuted to the temperaturc breakmg of hydrogen bonds. Rough estimates are gwen for the iraction of broken hydrog