Accession Number : AD0664060

Title :   ANHARMONIC POTENTIAL FUNCTIONS OF POLYATOMIC MOLECULES.

Descriptive Note : Final scientific rept. 1 Jan 64-31 Dec 65,

Corporate Author : MINNESOTA UNIV MINNEAPOLIS MOLECULAR SPECTROSCOPY LAB

Personal Author(s) : Overend,John

Report Date : 26 DEC 1967

Pagination or Media Count : 22

Abstract : A summary is given of a study which involved the experimental examination vibrational-rotational spectra at very high resolution and the calculation of anharmonic force constants from the spectroscopic data. Accomplishments included the development of computer techniques by which anharmonic force constants could be adjusted to observed spectroscopic data, and the application of these techniques to studies of the anharmonicity in HCN, acetylene, SO2, H2O, N2O, and several other molecules.

Descriptors :   (*POLYATOMIC MOLECULES, POTENTIAL ENERGY), (*MOLECULAR SPECTROSCOPY, POTENTIAL ENERGY), HARMONIC ANALYSIS, LEAST SQUARES METHOD, COMPUTER PROGRAMS, CHEMICAL BONDS, VIBRATION, CARBON DIOXIDE, HYDROGEN COMPOUNDS, CYANIDES, ETHYLENES, ALKYNES, WATER VAPOR, NITROGEN OXIDES, SULFUR COMPOUNDS, DIOXIDES

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE