ISSN:
0040-5744
Keywords:
Key words: Metal
;
nonmetal
;
metalloid
;
BF3
;
BCl3
;
AlF3
;
AlCl3
;
Theoretical characterization
;
Many-body expansion
;
Convergence
;
Group theoretical parameters
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary. Metalloid–nonmetal and Metal–nonmetal interactions of BF3, BCl3, AlF3 and AlCl3 were examined at the matrix Hartree Fock level of ab 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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01113863
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