𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Applications of the PM3 semi-empirical method to the study of triethylenediamine

✍ Scribed by J. Mancuso; R.J. McEachern

Book ID
108488231
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
663 KB
Volume
15
Category
Article
ISSN
1093-3263

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Intermolecular potentials of EDA complex
Intermolecular potentials of EDA complexes by semi-empirical theory dispersion energy terms in the PM3 method
✍ Josef Messinger; Volker Buss πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 French βš– 703 KB

The recently developed PM3 parametrlzatlon scheme for YNDOtype calculations by Stewart is shown to glve ground state propertles (geometrles. energies oi formation) of the complexes rormed between TCNE and a varlety of aromatic donors In qualltatlve agreement wlth ab lnitlo and avallable experlmental