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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Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
Vasilios Georgakilas,Michal Otyepka,Athanasios B. Bourlinos,Vimlesh Chandra,Namdong Kim,K. Christian Kemp,Pavel Hobza,Pavel Hobza,Pavel Hobza,Radek Zboril,Kwang S. Kim +10 more
TL;DR: Approaches, Derivatives and Applications Vasilios Georgakilas,† Michal Otyepka,‡ Athanasios B. Bourlinos,† Vimlesh Chandra, Namdong Kim, K. Kim,§,⊥ Radek Zboril,*,‡ and Kwang S. Kim.
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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.
TL;DR: MP2 and CCSD(T) complete basis set (CBS) limit interaction energies and geometries for more than 100 DNA base pairs, amino acid pairs and model complexes are for the first time presented together.
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Noncovalent interactions: a challenge for experiment and theory
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Definition of the hydrogen bond (IUPAC Recommendations 2011)
Elangannan Arunan,Gautam R. Desiraju,Roger A. Klein,Joanna Sadlej,Steve Scheiner,Ibon Alkorta,David C. Clary,Robert H. Crabtree,J. J. Dannenberg,Pavel Hobza,Henrik G. Kjaergaard,Anthony C. Legon,Benedetta Mennucci,David J. Nesbitt +13 more
TL;DR: In this paper, a novel definition for the hydrogen bond is proposed, which takes into account the theoretical and experimental knowledge acquired over the past century, and six criteria are listed that could be used as evidence for the presence of a hydrogen bond.