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coupled clusters
Person
Class
Person
Publication
Programmes
prof. RNDr. Petr Nachtigall Ph.D.
External person at Faculty of Science
7 classes
104 publications
Classes
class
Chemical structure
MC260P09 |
Faculty of Science
class
Physical chemistry and chemical physics for PhD students
MC260P118 |
Faculty of Science
class
Digital-age tools for research
MC260P136 |
Faculty of Science
class
Siminar meeting - Complex molecular structures
+3
MC260S58 |
Faculty of Science
Publications
publication
Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2+ and Fe3+ Sites in MOFs
2015 |
Faculty of Science, Central Library of Charles University
publication
Combined Theoretical and Experimental Investigation of CO Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF
2012 |
Faculty of Science, Central Library of Charles University
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
Structure and Stability of the Water-Graphite Complexes
2009 |
Faculty of Science, Central Library of Charles University
publication
The need for operando modelling of 27Al NMR in zeolites: The effect of temperature, topology and water
2023 |
Faculty of Science
publication
Dynamical Equilibrium between Bronsted and Lewis Sites in Zeolites: Framework-Associated Octahedral Aluminum
2023 |
Faculty of Science
publication
Accurate large-scale simulations of siliceous zeolites by neural network potentials
2022 |
Faculty of Science
publication
Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure
2021 |
Faculty of Science
publication
The Role of Water Loading and Germanium Content in Germanosilicate Hydrolysis
2021 |
Faculty of Science
publication
Doping isolated one-dimensional antiferromagnetic semiconductor vanadium tetrasulfide (VS4) nanowires with carriers induces half-metallicity
2021 |
Faculty of Science
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