Acetylene aggregates via cluster-building algorithm and molecular tailoring approach

Theoretical Chemistry Accounts

Volumn 131, Issue 2, 2012, Pages 1-7

  Rahalkar, Anuja P ^a,b   Yeole, Sachin D ^a,b   Gadre, Shridhar R ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b UNIVERSITY OF PUNE   (India)

Author keywords

Acetylene; Hessian matrix; Molecular clusters; Molecular tailoring approach (MTA); M ller Plesset second order perturbation theory (MP2); Vibrational spectra

Indexed keywords

EID: 84856578449     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1095-0     Document Type: Article

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