Michal Pitoňák

Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set.

Pavel Hobza, Jan Řezáč, Lucie Gráfová, 2010, Journal of chemical theory and computation.

Complete Basis Set Extrapolation and Hybrid Schemes for Geometry Gradients of Noncovalent Complexes.

Pavel Hobza, Kevin E. Riley, Jiří Černý, 2011, Journal of chemical theory and computation.

Coupled Cluster and Møller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions.

Jonas Boström, Roland Lindh, Francesco Aquilante, 2012, Journal of chemical theory and computation.

Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): A Users Manual and Examples

Karel Berka, Pavel Hobza, Kevin E. Riley, 2008 .

Accurate Intermolecular Interaction Energies from a Combination of MP2 and TDDFT Response Theory.

Andreas Heßelmann, Michal Pitoňák, A. Hesselmann, 2010, Journal of chemical theory and computation.

Parallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integrals

Pavel Hobza, Francesco Aquilante, Miroslav Urban, 2011 .

On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X-H···π): WFT and DFT Calculations.

Pavel Hobza, Kevin E. Riley, Jiří Černý, 2010, Journal of chemical theory and computation.

Accuracy of Several Wave Function and Density Functional Theory Methods for Description of Noncovalent Interaction of Saturated and Unsaturated Hydrocarbon Dimers.

Pavel Hobza, Michal Pitoňák, P. Hobza, 2012, Journal of chemical theory and computation.

MP2.5 and MP2.X: approaching CCSD(T) quality description of noncovalent interaction at the cost of a single CCSD iteration.

Pavel Hobza, Kevin E. Riley, Jan Řezáč, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

A Transferable H-Bonding Correction for Semiempirical Quantum-Chemical Methods.

Pavel Hobza, Martin Korth, Jan Řezáč, 2010, Journal of chemical theory and computation.