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Non-periodic boundary conditions for ab initio molecular dynamics in condensed phase using localized basis functions
Nadia Rega, Giuseppe Brancato, Vincenzo BaroneVolume:
422
Year:
2006
Language:
english
Pages:
5
DOI:
10.1016/j.cplett.2006.02.051
File:
PDF, 262 KB
english, 2006