๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A systematic theoretical study of molecular Si/N, B/N, and Si/B/N(H) compounds and parameterisation of a force-field for molecules and solids

โœ Scribed by C.M. Marian; M. Gastreich


Book ID
114140994
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
632 KB
Volume
506
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES


Local density studies of diatomic AB mol
โœ Delano P. Chong ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 358 KB

The spectroscopic constants and charge distribution for the ground states of 36 diatomic molecules containing C to F and Si to C1 atoms have been studied with the deMon density functional program, using the local density approximation and large basis sets. For each species, we computed the energy an