Computational study on the energies and structures of the [H, Si, N, C, S] isomers

Theoretical Chemistry Accounts

Volumn 127, Issue 5, 2010, Pages 661-669

  Neil, Simon R T ^a,b   Evans, Corey J ^a  

^a UNIVERSITY OF LEICESTER   (United Kingdom)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

Ab initio; Astrochemistry; Computational chemistry; Electronic spectroscopy; Enthalpies of formation; Isomerisation; Microwave spectroscopy; Optimized structure; Silicon containing compounds; Sulphur containing compounds; Vibrational frequency

Indexed keywords

EID: 78149409110     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-010-0772-0     Document Type: Article

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