The Kernel energy method: Application to graphene and extended aromatics

International Journal of Quantum Chemistry

Volumn 111, Issue 15, 2011, Pages 4150-4157

  Huang, Lulu ^a   Bohorquez, Hugo J ^b   Matta, Chérif F ^b,c   Massa, Lou ^d  

^a NAVAL RESEARCH LABORATORY   (United States)

^b DALHOUSIE UNIVERSITY   (Canada)

^c MOUNT SAINT VINCENT UNIVERSITY   (Canada)

^d CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

aromaticity; Clar sextet; grapheme; Kernel energy method; ring conserved isodesmic reactions

Indexed keywords

AROMATICITIES; CLAR SEXTET; GRAPHEME; ISODESMIC REACTIONS; KERNEL ENERGY METHOD;

AROMATIC COMPOUNDS; AROMATIZATION; ATOMS; CALCULATIONS; DANGLING BONDS; ELECTRONIC STRUCTURE; HYDROGEN; KINETIC ENERGY; MOLECULES; QUANTUM CHEMISTRY;

GRAPHENE;

EID: 80053522087     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22975     Document Type: Article

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