P
Pavel Hobza
Researcher at Academy of Sciences of the Czech Republic
Publications - 567
Citations - 51511
Pavel Hobza is an academic researcher from Academy of Sciences of the Czech Republic. The author has contributed to research in topics: Ab initio & Hydrogen bond. The author has an hindex of 107, co-authored 564 publications receiving 48080 citations. Previous affiliations of Pavel Hobza include Czechoslovak Academy of Sciences & Fritz Haber Institute of the Max Planck Society.
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Double Proton Transfer: From the Formamide Dimer to the Adenine.cntdot..cntdot..cntdot.Thymine Base Pair
TL;DR: In this article, the authors used the cylic formamide dimer as a model system for the investigation of proton-transfer phenomena in DNA base pairs, and studied the potential energy surface (PES) in the coordinates of transferring protons using a wide set of computational methods.
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Thermodynamic characteristics for the formation of H-bonded DNA base pairs
Pavel Hobza,Jiří Šponer +1 more
TL;DR: In this paper, the formation of gas-phase H-bonded DNA base pairs was evaluated using ab initio data (geometries and vibrational frequencies of bases and base pairs and base pair stabilization energies) utilizing the rigid rotor - harmonic oscillator - ideal gas approximations.
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The superposition error problem: the (HF)2 and (H2O)2 complexes at the SCF and MP2 levels
TL;DR: In this paper, the utility of the basis set superposition error (BSSE) correction was evaluated with the basis sets of split-valence and DZ origin with respect to the intersystem correlation energy.
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Sequence dependent intrinsic deformability of the DNA base amino groups. An ab initio quantum chemical analysis
TL;DR: In this article, it was shown that the gradient geometry optimization with inclusion of electron correlation significantly increases the non-planarity of the cytosine amino group compared to the HF level of calculations.