Theoretical characterization and many-body expansion analysis of BF3, BCl3, AlF3 and AlCl3 interactions

Autor:	M. M. Assem, A. S. Shalabi, K. A. Kamel
Rok vydání:	1995
Předmět:	Matrix (mathematics) Chemistry Convergence (routing) Hartree–Fock method Chiropractics Statistical physics Physical and Theoretical Chemistry Atomic physics Many body Characterization (materials science)
Zdroj:	Theoretica Chimica Acta. 91:73-81
ISSN:	1432-2234 0040-5744
DOI:	10.1007/bf01113863
Popis:	Metalloid-nonmetal and Metal-nonmetal interactions of BF3, BCl3, AlF3 and AlCl3 were examined at the matrix Hartree Fock level ofab initio theory. Structural and energetic properties, many-body expansion convergence, short- and long-range components of interaction energies, and group-theoretical parameters were found to uniquely characterize these interactions.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::967a52c0ddcd9392da590d5d104949e2 https://doi.org/10.1007/bf01113863 Zobrazit plný text záznamu Full text from SpringerLink