Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks

Pure and Applied Chemistry

Volumn 81, Issue 4, 2009, Pages 719-729

  Oliva, Josep M ^a   Klein, Douglas J ^b   Von Ragué Schleyer, Paul ^c   Serrano Andrés, Luis ^d  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b TEXAS A AND M UNIVERSITY AT GALVESTON   (United States)

^c UNIVERSITY OF GEORGIA   (United States)

^d UNIVERSITY OF VALENCIA   (Spain)

Author keywords

Biradicals; Carboranes; CASPT2; CASSCF; Computational chemistry; DFT; Dianions; Dimers; Electronic structures; Molecular architecture; Singlet; Triplet

Indexed keywords

EID: 65449137555     PISSN: 00334545     EISSN: 13653075     Source Type: Journal    
DOI: 10.1351/PAC-CON-08-09-18     Document Type: Conference Paper

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