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The semiempirical quantum chemical PM6 method augmented by dispersion and H-bonding correction terms describes reliably various types of non-covalent complexes
- 1.ŘEZÁČ, J., FANFRLÍK, J., SALAHUB, D., HOBZA, P. The semiempirical quantum chemical PM6 method augmented by dispersion and H-bonding correction terms describes reliably various types of non-covalent complexes. Journal of Chemical Theory and Computation. 2009, 5(7), 1749-1760. ISSN 1549-9618. E-ISSN 1549-9626. Available: doi: 10.1021/ct9000922
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