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Interaction energies
Publication
Class
Person
Publication
Programmes
publication
Combining rule for interaction energies of the (CO2)2, (N2)2 and CO-N2 complexes
2003 |
Faculty of Science
publication
Calculations of interaction energies of ellipticine derivatives with DNA base pairs
2004 |
Faculty of Science
publication
Condensed energy and interaction energy in Fröhlich systems
1994 |
Publication without faculty affiliation
publication
Internet application for interactive energy scenario analysis
Publication without faculty affiliation
publication
Intermolecular interactions in the (CO2)2, N2-CO2 and CO-CO2 complexes
2004 |
Faculty of Science
publication
H-Bonding and Interaction Energy of Acetonitrile Neutral and Pyridine Ion-Pair Complexes in Zeolites of Various Acidity: FTIR and Ab Initio Study
1995 |
Publication without faculty affiliation
publication
Adsorption of Organic Electron Acceptors on Graphene-like Molecules: Quantum Chemical and Molecular Mechanical Study
2012 |
Faculty of Science
publication
Structure and Stability of the Water-Graphite Complexes
2009 |
Faculty of Science, Central Library of Charles University
publication
The interaction of Pd clusters with the bulk and layered two-dimensional Silicalite-1 supports
2016 |
Faculty of Science
publication
Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme (Article No. 114102)
2008 |
Faculty of Mathematics and Physics
publication
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
2015 |
Faculty of Science
publication
Benchmarking of Semiempirical Quantum-Mechanical Methods on Systems Relevant to Computer-Aided Drug Design
2020 |
Faculty of Science
publication
Spin Observables in Elastic np Interaction in the Energy Range 230-590 MeV. Complete Experiment.
+1
2007 |
Faculty of Mathematics and Physics
publication
Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis
2015 |
Central Library of Charles University
publication
Towards a better understanding of the specificity of protein-protein interaction
2012 |
Faculty of Science
publication
Accuracy of Quantum Chemical Methods for Large Noncovalent Complexes
2013 |
Faculty of Science
publication
Noncovalent Interactions in Specific Recognition Motifs of Protein-DNA Complexes
2017 |
Faculty of Science
publication
Accurate Description of Argon and Water Adsorption on Surfaces of Graphene-Based Carbon Allotropes
2011 |
Faculty of Science, Central Library of Charles University
publication
Amino Acid Interaction (INTAA) web server
2017 |
Faculty of Science, Central Library of Charles University
publication
Ab initio investigation of intermolecular interactions in solid benzene (Article No. 092103)
2008 |
Faculty of Mathematics and Physics
publication
Using Noncovalent Interactions to Test the Precision of Projector-Augmented Wave Data Sets
2023