Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

Physical Chemistry Chemical Physics - Tập 8 Số 17 - Trang 1985-1993
Petr Jurečka1, Jiřı́ Šponer2,1, Jiří Černý1, Pavel Hobza1
1Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic and Center for Biomolecules and Complex Molecular Systems, Flemingovo náměstí 2, Prague 6, Czech Republic
2Institute of Biophysics, Academy of Sciences of the Czech Republic, Královopolská 135, Brno, Czech Republic

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Tài liệu tham khảo

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D. Horinek and P.Hobza, in preparation