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Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe-Gly-Phe tripeptide
Haydée Valdés, Vojtěch Klusák, Michal Pitoňák, Otto Exner, Ivo Starý, Pavel Hobza, Lubomír RulíšekVolume:
29
Year:
2008
Language:
english
Pages:
10
DOI:
10.1002/jcc.20841
File:
PDF, 217 KB
english, 2008