Dependence of the electric field gradient at a nucleus in a molecule on the nuclear coordinates. Part 2. Calculation of the dependence of the electric field gradient on the internuclear distance in a diatomic molecule

Journal Article · Wed May 01 00:00:00 EDT 1985 · J. Struct. Chem. (Engl. Transl.); (United States)

DOI:https://doi.org/10.1007/BF00747826· OSTI ID:6407964

Rebane, T K; Ivanov, A I; Budanov, G I

General formulas have previously been described for approximating the dependence of the electric field gradient at a nucleus on the configuration of the nuclear core in the molecule, and these are applied to simple diatomic molecules, mainly hydrides of XH type.

• Research Organization: Leningrad State Univ., USSR
• OSTI ID: 6407964
• Journal Information: J. Struct. Chem. (Engl. Transl.); (United States), Vol. 25:6; Other Information: Translated from Zh. Strukt. Khim.; 25: No.6, 35-39(Nov-Dec 1984)
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
MOLECULES
ELECTRONIC STRUCTURE
NUCLEAR STRUCTURE
NUCLEI
ELECTRIC FIELDS
ADIABATIC APPROXIMATION
ATOMIC MODELS
BERYLLIUM HYDRIDES
BORON HYDRIDES
COORDINATES
DEUTERIUM
DISSOCIATION
HYDROCHLORIC ACID
HYDROFLUORIC ACID
HYDROGEN
LITHIUM HYDRIDES
NUCLEAR ELECTRIC MOMENTS
NUCLEAR MODELS
NUCLEAR QUADRUPOLE RESONANCE
ALKALI METAL COMPOUNDS
ALKALINE EARTH METAL COMPOUNDS
BERYLLIUM COMPOUNDS
BORON COMPOUNDS
ELECTRIC MOMENTS
ELEMENTS
HYDRIDES
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
INORGANIC ACIDS
ISOTOPES
LIGHT NUCLEI
LITHIUM COMPOUNDS
MATHEMATICAL MODELS
NONMETALS
NUCLEAR PROPERTIES
ODD-ODD NUCLEI
RESONANCE
STABLE ISOTOPES
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory