Published March 1983
| Version v1
Journal article
Potential surface of the ground state and force field of B2O2 molecule in the SCf approximation
- 1. Moskovskij Gosudarstvennyj Univ. (USSR)
Description
In the SCF approximation calculations of total energies of different conformations of a B2O2 molecule are made. It is found that the linear conformation is lower, as to the energy, for which equilibrium values of internuclear distanoes are calculated and vibration problem in harmonic approximation is solved. The results obtained are compared with the data on spectroscopic investigations of a B2O2 molecule
Additional details
Additional titles
- Original title (Russian)
- Потенциальная поверхност' основного состояния и силовое поле молекулы Б
Publishing Information
- Journal Title
- Zh. Strukt. Khim.
- Journal Volume
- 24
- Journal Issue
- 2
- Series
- Zh. Strukt. Khim.
- Journal Page Range
- 99-102
- ISSN
- 0136-7463
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- USSR
- INIS RN
- 15030276
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- BORON OXIDES; ELECTRONIC STRUCTURE; INTERATOMIC FORCES; LCAO METHOD; MOLECULAR STRUCTURE
- Descriptors DEC
- BORON COMPOUNDS; CHALCOGENIDES; OXIDES; OXYGEN COMPOUNDS
Optional Information
- Notes
- For English translation see the journal Journal of Structural Chemistry (USA).