✦ LIBER ✦

The experimental design for computing the harmonic and anharmonic force constant matrices of polyatomic molecules

✍ Scribed by Michel Sana

Publisher: Springer
Year: 1982
Tongue: English
Weight: 696 KB
Volume: 60
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00549610

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The relation of harmonic force constant

The relation of harmonic force constant and charge density in bonding region for diatomic molecules

✍ W.S. Ptak; J. Giemza; K. Tkacz 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 181 KB

A procedure for the formation of the kin

A procedure for the formation of the kinematic and force matrices in the calculation of the vibrational spectra of polyatomic molecules by means of a computer

✍ V. V. Sivchik; K. M. Grushetskii; R. G. Zhbankov 📂 Article 📅 1973 🏛 Springer US 🌐 English ⚖ 227 KB

An algorithm for the formation of the ki

An algorithm for the formation of the kinematic and force matrices in the solution of the problem of the vibrations of polyatomic molecules

✍ V. V. Sivchik; K. M. Grushetskii 📂 Article 📅 1973 🏛 Springer US 🌐 English ⚖ 183 KB

An ab initio study of the relationship b

An ab initio study of the relationship between the OH bond length and the harmonic and anharmonic stretching force constants for planar molecules containing COH, NOH, and OOH groups

✍ Charles W. Bock; Mendel Trachtman; Philip George 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 801 KB

## Abstract The OH bond length and the quadratic, cubic, and quartic stretching force constants, calculated __ab initio__ using the unscaled 4‐31G basis set with full geometry optimization, are reported for 30 planar conformers of ten molecules contaning either the COH, NOH, or OOH group. The d

Characters for symmetric and antisymmetr

Characters for symmetric and antisymmetric higher powers of representations: Application to the number of anharmonic force constants in symmetrical molecules

✍ Xue-Feng Zhou; Peter Pulay 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 375 KB

Explicit formulas are given for the characters of symmetric and antisymmetric powers of an arbitrary representation up to the sixth, and a general method for obtaining the higher ones is described. The results allow, among others, the determination of nonvanishing higher force constants in symmetric