๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A density functional study of vibrational frequencies of diphenylbutadiene in the ground and transient states

โœ Scribed by T Kamisuki; C Hirose


Book ID
114143101
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
192 KB
Volume
453
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Systematic study of vibrational frequenc
โœ Henryk A. Witek; Keiji Morokuma ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 227 KB ๐Ÿ‘ 1 views

## Abstract We present a detailed study of harmonic vibrational frequencies obtained with the selfโ€consistent charge density functional tightโ€binding (SCCโ€DFTB) method. Our testing set comprises 66 molecules and 1304 distinct vibrational modes. Harmonic vibrational frequencies are computed using an