A theoretical study of the structure, energy, and shape of novel boron-nitrogen helices

• Main Author: Szakacs, Csaba E.
• Other Authors: Memorial University of Newfoundland. Dept. of Chemistry
• Format: Thesis
• Language: English
• Published: 2009
• Subjects: Boron nitride; Hartree-Fock appproximation; Hartree; Newfoundland studies; University of Newfoundland
• Online Access: http://collections.mun.ca/cdm/ref/collection/theses4/id/42802

Thesis (Ph.D.)--Memorial University of Newfoundland, 2009. Chemistry Includes bibliographical references (leaves 102-103) Ab initio self-consistent field molecular orbital and density functional theory calculations have been performed on a series of helical structures comprised of boron-nitrogen ana...