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density functional theory
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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
Theoretical and experimental study of CO adsorption on Ca-FER zeolite
2015 |
Faculty of Science
publication
Theoretical investigation of layered zeolites with MWW topology: MCM-22P vs. MCM-56
2014 |
Faculty of Science, Central Library of Charles University
publication
Catalysis by Dynamically Formed Defects in a Metal-Organic Framework Structure: Knoevenagel Reaction Catalyzed by Copper Benzene-1,3,5-tricarboxylate
2014 |
Faculty of Science
publication
Theoretical investigation of layered zeolite frameworks: Interaction between IPC-1P layers derived from zeolite UTL
2013 |
Faculty of Science, Central Library of Charles University
publication
Theoretical investigation of the Friedlander reaction catalysed by CuBTC: Concerted effect of the adjacent Cu(2+) sites
2013 |
Faculty of Science, Central Library of Charles University
publication
Synthesis of quinolines via Friedlander reaction catalyzed by CuBTC metal-organic-framework
2012 |
Faculty of Science
publication
Controlling the Adsorption Enthalpy of CO2 in Zeolites by Framework Topology and Composition
2012 |
Faculty of Science
publication
Combined volumetric, infrared spectroscopic and theoretical investigation of CO2 adsorption on Na-A zeolite
2011 |
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
Accurate Prediction of Methane Adsorption in a Metal-Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation
2011 |
Faculty of Science
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