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What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O)n (n = 1-10)
- 1.Li, F., Wang, L., Zhao, J., Xie, J. R. H., Riley, K. E., Chen, Z. What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O)n (n = 1-10). Theoretical Chemistry Accounts. 2011, 130(2/3), 341-352. ISSN 1432-881X. E-ISSN 1432-2234. Dostupné z: doi: 10.1007/s00214-011-0989-6
Počet záznamů: 1