Finding low energy minima of (H2O)25 and (H2O)30 with temperature basin paving Monte Carlo method with effective fragment potential: New 'global minimum' and graph theoretical characterization of low energy structures

Computational and Theoretical Chemistry

Volumn 1021, Issue , 2013, Pages 206-214

  Rakshit, Avijit ^a   Bandyopadhyay, Pradipta ^a  

^a JAWAHARLAL NEHRU UNIVERSITY   (India)

Author keywords

Global optimization; Monte Carlo; Water clusters

Indexed keywords

EID: 84884974373     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2013.07.023     Document Type: Article

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