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	1.	Cuby: An integrative framework for computational chemistry. [electronic resource] by Řezáč, Jan Producer: 20180629 In: Journal of computational chemistry vol. 37 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Description of halogen bonding in semiempirical quantum-mechanical and self-consistent charge density-functional tight-binding methods. [electronic resource] by Řezáč, Jan Producer: 20200515 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Non-Covalent Interactions Atlas Benchmark Data Sets: Hydrogen Bonding. [electronic resource] by Řezáč, Jan Producer: 20200414 In: Journal of chemical theory and computation vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Empirical Self-Consistent Correction for the Description of Hydrogen Bonds in DFTB3. [electronic resource] by Řezáč, Jan Producer: 20180404 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Benzene Dimer: Dynamic Structure and Thermodynamics Derived from On-the-Fly ab initio DFT-D Molecular Dynamic Simulations. [electronic resource] by Řezáč, Jan Hobza, Pavel Producer: 20151202 In: Journal of chemical theory and computation vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Accurate DFT-D3 Calculations in a Small Basis Set. [electronic resource] by Hostaš, Jiří Řezáč, Jan Producer: 20180312 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Introduction: Noncovalent Interactions. [electronic resource] by Hobza, Pavel Řezáč, Jan Producer: 20170303 In: Chemical reviews vol. 116 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods. [electronic resource] by Řezáč, Jan Hobza, Pavel Producer: 20151124 In: Journal of chemical theory and computation vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Empirical D3 Dispersion as a Replacement for ab Initio Dispersion Terms in Density Functional Theory-Based Symmetry-Adapted Perturbation Theory. [electronic resource] by Sedlak, Robert Řezáč, Jan Producer: 20180124 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit. [electronic resource] by Řezáč, Jan Hobza, Pavel Producer: 20151125 In: Journal of chemical theory and computation vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Describing Noncovalent Interactions beyond the Common Approximations: How Accurate Is the "Gold Standard," CCSD(T) at the Complete Basis Set Limit? [electronic resource] by Řezáč, Jan Hobza, Pavel Producer: 20151124 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications. [electronic resource] by Řezáč, Jan Hobza, Pavel Producer: 20170303 In: Chemical reviews vol. 116 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Benchmarking of Semiempirical Quantum-Mechanical Methods on Systems Relevant to Computer-Aided Drug Design. [electronic resource] by Kříž, Kristian Řezáč, Jan Producer: 20210617 In: Journal of chemical information and modeling vol. 60 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	On the nature of DNA-duplex stability. [electronic resource] by Rezác, Jan Hobza, Pavel Producer: 20070621 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Ab Initio Quantum Mechanical Description of Noncovalent Interactions at Its Limits: Approaching the Experimental Dissociation Energy of the HF Dimer. [electronic resource] by Řezáč, Jan Hobza, Pavel Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Reparametrization of the COSMO Solvent Model for Semiempirical Methods PM6 and PM7. [electronic resource] by Kříž, Kristian Řezáč, Jan Producer: 20191203 In: Journal of chemical information and modeling vol. 59 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Description of non-covalent interactions in SCC-DFTB methods. [electronic resource] by Miriyala, Vijay Madhav Řezáč, Jan Producer: 20190304 In: Journal of computational chemistry vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Multilevel Fragment-Based Approach (MFBA): A Novel Hybrid Computational Method for the Study of Large Molecules. [electronic resource] by Řezáč, Jan Salahub, Dennis R Producer: 20151201 In: Journal of chemical theory and computation vol. 6 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Spin-component scaled coupled-clusters singles and doubles optimized towards calculation of noncovalent interactions. [electronic resource] by Pitonák, Michal Rezác, Jan Hobza, Pavel Producer: 20101221 In: Physical chemistry chemical physics : PCCP vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Evaluation of composite schemes for CCSDT(Q) calculations of interaction energies of noncovalent complexes. [electronic resource] by Demovičová, Lucia Hobza, Pavel Řezáč, Jan Producer: 20150518 In: Physical chemistry chemical physics : PCCP vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 88 results.