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List of works by Jiří Hostaš

A Nexus between Theory and Experiment: Non-Empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]uril⋅Guest Binding Interactions

scientific article published on 10 October 2016

Accurate DFT-D3 Calculations in a Small Basis Set.

scientific article

Correction: The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole

scientific article published on 17 August 2015

Experimental and Theoretical Study for the Assessment of the Conformational Stability of Polymethylene-Bridged Heteroaromatic Dimers: A Case of Unprecedented Folding

article published in 2016

On the performance of the semiempirical quantum mechanical PM6 and PM7 methods for noncovalent interactions

Representative Amino Acid Side-Chain Interactions in Protein-DNA Complexes: A Comparison of Highly Accurate Correlated Ab Initio Quantum Mechanical Calculations and Efficient Approaches for Applications to Large Systems

scientific article published on 6 August 2015

Selective binding of choline by a phosphate-coordination-based triple helicate featuring an aromatic box.

scientific article published on 16 October 2017

The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole

scientific article published on 30 January 2014

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