Metallo-antiaromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation

Journal of Physical Chemistry A

Volumn 108, Issue 4, 2004, Pages 628-631

  Shetty, Sharan ^a   Kanhere, Dilip G ^b   Pal, Sourav ^a  

^a NATIONAL CHEMICAL LABORATORY   (India)

^b UNIVERSITY OF PUNE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRONS; EQUATIONS OF MOTION; MOLECULAR DYNAMICS; NEGATIVE IONS; PERTURBATION TECHNIQUES; SIMULATED ANNEALING;

ANTIAROMATICITY; AROMATICITY; BORN-OPPNEHEIMER MOLECULAR DYNAMICS SIMULATIONS; HIGHEST-OCCUPIED MOLECULAR ORBITAL; LOWEST UNOCCUPIED MOLECULAR ORBITAL; METALLO-ANTIAROMATIC COMPOUNDS; MOLLER-PLESSET PERTURBATION THEORY;

ORGANOMETALLICS;

EID: 0442326623     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0370122     Document Type: Article

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