Quantum chemical simulation of the electronic structure and chemical bonding in (6,6), (11,11) and (20,0)-like metal-boron nanotubes

Journal of Molecular Structure: THEOCHEM

Volumn 625, Issue 1-3, 2003, Pages 9-16

  Ivanovskaya, V V ^a   Enjashin, A N ^a   Sofronov, A A ^a   Makurin, Yu N ^a   Medvedeva, N I ^b   Ivanovskii, A L ^b  

^a URAL FEDERAL UNIVERSITY   (Russian Federation)

^b INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

Chemical bonding; Electronic properties; Metal boron nanotubes

Indexed keywords

ALUMINUM DERIVATIVE; BORON DERIVATIVE; CARBON; LITHIUM DERIVATIVE; MAGNESIUM DERIVATIVE; METAL COMPLEX; METAL DIBORIDE; SCANDIUM; TITANIUM DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRONICS; ENERGY; MODEL; NANOTUBE; QUANTUM CHEMISTRY;

EID: 0038372758     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00696-6     Document Type: Article

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