Published November 1986
| Version v1
Journal article
Fragmentary method of determining force constants of molecules from experimental and quantum-mechanical data
Creators
Description
The authors employ a system of independent normal coordinates, which with the aid of known relations, are linked with the Cartesian coordinates of the displacements of the atoms and with the natural coordinates, and make calculations for a number of hydrocarbons. The use of this method reduces the requirement for accuracy of the quantum-mechanical determination of the force constants
Additional details
Publishing Information
- Journal Title
- J. Appl. Spectrosc. (Engl. Transl.)
- Journal Volume
- 44
- Journal Issue
- 5
- Series
- J. Appl. Spectrosc. (Engl. Transl.).
- Journal Page Range
- 547-551
- ISSN
- 0021-9037
- CODEN
- JASYA
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 18058569
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ATOMIC MODELS; BOND ANGLE; BUTENES; CHEMICAL BONDS; COORDINATES; ELECTRONIC STRUCTURE; ETHANE; ETHYLENE; INTERMOLECULAR FORCES; MOLECULAR STRUCTURE; PROPYLENE; QUANTIZATION; QUANTUM MECHANICS; VIBRATIONAL STATES
- Descriptors DEC
- ALKANES; ALKENES; ENERGY LEVELS; EXCITED STATES; HYDROCARBONS; MATHEMATICAL MODELS; MECHANICS; ORGANIC COMPOUNDS
Optional Information
- Notes
- Cover-to-cover translation of Zhurnal Prikladnoj Spektroskopii (Byelorussian SSR).