An ab initio study of relationships between bond lengths and the harmonic and anharmonic cross-coupling constants involving the double bonds in hetero-atom substituted conjugated dienes

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