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Studies in hydrogen-bonding: Association in methylamine using an empirical potential

✍ Scribed by George Brink; Leslie Glasser


Book ID
119115562
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
513 KB
Volume
85
Category
Article
ISSN
0166-1280

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📜 SIMILAR VOLUMES


Studies in hydrogen bonding: Association
✍ George Brink; Leslie Glasser 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 469 KB

## Abstract The empirical potential, EPEN, has been used to establish the structures of isolated hydrogen‐bonded clusters in methanol. The most stable configuration of the dimer is found to have a trans near‐linear form, whereas the most stable forms of the trimer and tetramer are cyclic. Charge in

Studies in hydrogen bonding: Association
✍ George Brink; Leslie Glasser 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 404 KB

## Abstract The empirical potential EPEN/2 has been used to establish the structures of isolated hydrogen‐bonding ammonia clusters. The most stable forms of the dimer have a linear or near‐linear structure. The trimer has a closed structure with zero dipole moment. Two stable tetramer forms were fo

Studies in hydrogen bonding: Association
✍ George Brink; Leslie Glasser 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 459 KB

## 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__

Studies in hydrogen bonding: Association
✍ George Brink; Leslie Glasser 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 621 KB

## Abstract The geometries of the dimer, trimer, and tetramer hydrogen‐bonded 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