𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A Calculation of the Strain Dependence of the Harmonic Frequency Distribution

✍ Scribed by W. Mock Jr.


Publisher
John Wiley and Sons
Year
1969
Tongue
English
Weight
415 KB
Volume
36
Category
Article
ISSN
0370-1972

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


The harmonic frequencies of benzene
✍ Nicholas C. Handy; Paul E. Maslen; Roger D. Amos; Jamie S. Andrews; Christopher πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 951 KB

We report calculations for the harmonic frequencies of C6H6 and C6D6. Our most sophisticated quantum chemistry values are obtained with the MP2 method and a TZZP + f basis set (288 basis functions), which are the largest such calculations reported on benzene to date. Using the SCF density, we also c

MCSCF calculation of the frequency-depen
✍ MichaΕ‚ JaszuΕ„ski; Antonio Rizzo πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 462 KB

The second electric dipole hyperpolarizability of the lithium atom is calculated using a series of multiconfiguration SCF wave functions with an increasing number of active space orbitals. In agreement with other recent calculations, we find a very large correlation correction to the hyperpolarizabi