Published 1987 | Version v1
Report Metadata-only

Ab initio investigations of electronic structures and associated magnetic and hyperfine properties of hemoglobin derivatives

Creators

Description

The Self-Consistent Charge Extended Huckel (SCCEH) procedure has been utilized with and without repulsive Coulomb interactions between valence electrons belonging to different atoms in the system to obtain ground state electronic configurations for Ferricytochrome c, Myoglobin-Azide, Hemin and Bisimidazole systems. Various electronic, magnetic and hyperfine properties at /sup 57m/FE, 14N and 1H nuclei have been calculated and the results are compared with respective experimental data

Availability note (English)

University Microfilms Order No. 88-02,966.

Additional details

Publishing Information

Imprint Pagination
175 p.

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
20026000
Subject category
S60: APPLIED LIFE SCIENCES;
Resource subtype / Literary indicator
Thesis, Non-conventional Literature
Descriptors DEI
ELECTRONS; HEMOGLOBIN; HYDROGEN 1; IRON 57; ISOMERIC NUCLEI; MOLECULAR STRUCTURE; NITROGEN 14; PHYSICAL PROPERTIES; TRACER TECHNIQUES
Descriptors DEC
CARBOXYLIC ACIDS; ELEMENTARY PARTICLES; EVEN-ODD NUCLEI; FERMIONS; GLOBINS; HETEROCYCLIC ACIDS; HETEROCYCLIC COMPOUNDS; HYDROGEN ISOTOPES; INTERMEDIATE MASS NUCLEI; IRON ISOTOPES; ISOTOPE APPLICATIONS; ISOTOPES; LEPTONS; LIGHT NUCLEI; NITROGEN ISOTOPES; NUCLEI; ODD-EVEN NUCLEI; ODD-ODD NUCLEI; ORGANIC ACIDS; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; PIGMENTS; PORPHYRINS; PROTEINS; STABLE ISOTOPES