2013
Hostaš J., Řezáč J., Hobza P.:
On the performance of the semiempirical quantum mechanical PM6 and PM7 methods for noncovalent interactions
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Chemical Physics Letters in press, 2013.
Sedlák R., Riley K.E., Řezáč J., Pitoňák M., Hobza P.:
MP2.5 and MP2.X: Approaching CCSD(T) quality description of noncovalent interaction at the cost of a single CCSD iteration
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ChemPhysChem 14: 698-707, 2013.
Granatier J., Dubecký M., Lazar P., Otyepka M., Hobza P.:
Spin-crossing in an organometallic Pt-benzene complex
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Journal of Chemical Theory and Computation 9: 1461-1468, 2013.
Lazar P., Zhang S., Šafářová K., Li Q., Froning J.P., Granatier J., Hobza P., Zbořil R., Besenbacher F., Dong M., Otyepka M.:
Quantification of the interaction forces between metals and graphene by quantum chemical calculations and dynamic force measurements under ambient conditions
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ACS Nano 7: 1646-1651, 2013.
Kolář M., Hobza P., Bronowska A.K.:
Plugging the explicit σ-holes in molecular docking
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Chemical Communications 49: 981-983, 2013.
Špirko V., Sauer S.P.A., Szalewicz K.:
Relation between properties of long-range diatomic bound states
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Physical Review A - Atomic Molecular and Optical Physics in press, 2013.
Sauer S.P.A., Špirko V.:
Effective potential energy curves of the ground electronic state of CH +
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Journal of Chemical Physics in press, 2013.
Dršata T., Pérez A., Orozco M., Morozov A.V., Šponer J., Lankaš F.:
Structure stiffness and substates of the dickerson-drew dodecamer
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Journal of Chemical Theory and Computation 9: 707-721, 2013.
Riley K.E., Řezáč J., Hobza P.:
Competition between halogen dihalogen and hydrogen bonds in bromo- and iodomethanol dimers
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Journal of Molecular Modeling in press, 2013.
Platts J.A., Hill J.G., Riley K.E., Řezáč J., Hobza P.:
Basis set dependence of interaction energies computed using composite post-MP2 methods
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Journal of Chemical Theory and Computation 9: 330-337, 2013.
Řezáč J., Šimová L., Hobza P.:
CCSD[T] describes noncovalent interactions better than the CCSD(T) CCSD(TQ) and CCSDT methods
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Journal of Chemical Theory and Computation 9: 364-369, 2013.
Kalachova L., Pohl R., Bednárová L., Fanfrlík J., Hocek M.:
Synthesis of nucleosides and dNTPs bearing oligopyridine ligands linked through an octadiyne tether their incorporation into DNA and complexation with transition metal cations
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Organic and Biomolecular Chemistry 11: 78-89, 2013.