Static Dipole Polarizability of o-, m- and p-Benzyne isomers: Ab initio, DFT and CCSD calculations

Journal of Computational Methods in Sciences and Engineering

Volumn 4, Issue 3, 2004, Pages 399-409

  Soscún, Humberto ^a   Toro Mendoza, Carlos ^a   Chacín, Esker ^a   Hernández, Javier ^a  

^a FACULTAD DE CIENCIAS VETERINARIAS   (Venezuela)

Author keywords

ab initio; benzynes; biradical character; CCSD; DFT; dipole polarizability; MP2; unrestricted hartree fock

Indexed keywords

ANISOTROPY; BENZENE; CALCULATIONS; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; GROUND STATE; MOLECULAR PHYSICS; NUMERICAL METHODS; POLARIZATION; QUANTUM CHEMISTRY;

AB INITIO; BENZYNES; BIRADICAL; CCSD; DIPOLE POLARIZABILITIES; UNRESTRICTED HARTREE-FOCK;

ISOMERS;

EID: 77957847909     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/jcm-2004-4315     Document Type: Article

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