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List of works by Petr Nachtigall

2D Oxide Nanomaterials to Address the Energy Transition and Catalysis

scientific article published on 22 August 2018

A family of zeolites with controlled pore size prepared using a top-down method

scientific article published on 2 June 2013

A reactive neural network framework for water-loaded acidic zeolites

scientific article published on 17 May 2024

Accurate ab initio description of adsorption on coordinatively unsaturated Cu(2+) and Fe(3+) sites in MOFs

scientific article published on 05 December 2014

Accurate description of argon and water adsorption on surfaces of graphene-based carbon allotropes

scientific article published on 02 August 2011

Adsorption of CO2 on Sodium-Exchanged Ferrierites: The Bridged CO2 Complexes Formed between Two Extraframework Cations

Adsorptive desulfurization with CPO-27/MOF-74: an experimental and computational investigation.

scientific article published on April 2015

Assembly–Disassembly–Organization–Reassembly Synthesis of Zeolites Based on cfi-Type Layers

CO2 Adsorption in Porous Materials

Carbon monoxide adsorption on low-silica zeolites: from single to dual and to multiple cation sites

scientific article published on 10 July 2007

Catalysis by Dynamically Formed Defects in a Metal-Organic Framework Structure: Knoevenagel Reaction Catalyzed by Copper Benzene-1,3,5-tricarboxylate

Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P

scientific article published on 16 August 2016

Combined Theoretical and FTIR Spectroscopic Studies on Hydrogen Adsorption on the Zeolites Na−FER and K−FER

scientific article published on 01 January 2006

Combined theoretical and experimental investigation of CO adsorption on coordinatively unsaturated sites in CuBTC MOF

scientific article published on 13 December 2011

Comparison of the catalytic activity of MOFs and zeolites in Knoevenagel condensation

Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite

scientific article published on 25 November 2008

Computational and variable-temperature infrared spectroscopic studies on carbon monoxide adsorption on zeolite Ca-A.

scientific article published in May 2009

Computational investigation of the Lewis acidity in three-dimensional and corresponding two-dimensional zeolites: UTL vs IPC-1P.

scientific article published on 14 April 2014

Control of CO2adsorption heats by the Al distribution in FER zeolites

scientific article published on 01 December 2011

Control of spintronic and electronic properties of bimetallic and vacancy-ordered vanadium carbide MXenes via surface functionalization

scientific article published on 15 November 2019

Controlling the adsorption enthalpy of CO(2) in zeolites by framework topology and composition

scientific article published on 10 August 2012

Coordination compounds based on 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

scientific article published on 21 May 2007

DFT/CC investigation of physical adsorption on a graphite (0001) surface

scientific article published on 28 April 2010

Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio

scientific article published on 30 March 2010

FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li–FER

scientific article published on 05 April 2006

Fast room temperature lability of aluminosilicate zeolites

scientific article published on 16 October 2019

Few-Layer Silicene Nanosheets with Superior Lithium-Storage Properties

scientific article published on 07 May 2018

Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure

scientific article published on 11 November 2020

Fluorescent Sulphur- and Nitrogen-Containing Porous Polymers with Tuneable Donor-Acceptor Domains for Light-Driven Hydrogen Evolution

scientific article published on 25 July 2018

From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation

scientific article published on 22 July 2014

Intramolecular hydroalkoxylation of non-activated C=C bonds catalysed by zeolites: an experimental and theoretical study.

scientific article

Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme

scientific article

Investigation of the benzene-naphthalene and naphthalene-naphthalene potential energy surfaces: DFT/CCSD(T) correction scheme

scientific article published in August 2008

Investigation of the reliability of density functional methods: Reaction and activation energies for Si–Si bond cleavage and H2 elimination from silanes

Layered inorganic solids

scientific article published on 10 June 2014

Magneto-structural correlations of novel kagomé-type metal organic frameworks

Manipulation with Zeolitic Layers Toward New Porous Materials

Measuring the Brønsted acid strength of zeolites--does it correlate with the O-H frequency shift probed by a weak base?

scientific article published on 19 February 2014

Metal-Organic Frameworks M-MOF-74 and M-MIL-100: Comparison of Textural, Acidic, and Catalytic Properties

scientific article published on 17 June 2016

Mössbauerite as Iron-Only Layered Oxyhydroxide Catalyst for WO3 Photoanodes

scientific article published on 16 July 2019

Near-room-temperature Chern insulator and Dirac spin-gapless semiconductor: nickel chloride monolayer.

scientific article

New Layered Triazine Framework/Exfoliated 2D Polymer with Superior Sodium-Storage Properties.

scientific article

New catalytic materials for energy and chemistry in transition

On the existence of CuI pairs in ZSM-5--a computational study

scientific article published in May 2002

On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study

scientific article published on 07 November 2006

Periodic DFT investigation of the effect of aluminium content on the properties of the acid zeolite H-FER

scientific article published on 14 January 2010

Postsynthesis Transformation of Three-Dimensional Framework into a Lamellar Zeolite with Modifiable Architecture

scientific article published on 01 April 2011

Pressure-induced chemistry for the 2D to 3D transformation of zeolites

scientific article published in 2018

Pyrrole as a Probe Molecule for Characterization of Basic Sites in ZSM-5: A Combined FTIR Spectroscopy and Computational Study

Real-time optical and electronic sensing with a β-amino enone linked, triazine-containing 2D covalent organic framework

scientific article published on 19 July 2019

Si adatom binding and diffusion on the Si(100) surface: Comparison of ab initio, semiempirical and empirical potential results

Single and dual cation sites in zeolites: theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER.

scientific article published in November 2006

Synthesis and Post-Synthesis Transformation of Germanosilicate Zeolites

scientific article published on 08 June 2020

Synthesis of 'unfeasible' zeolites.

scientific article

Synthesis of quinolines via Friedländer reaction catalyzed by CuBTC metal–organic-framework

scientific article published on 01 February 2012

Tailored Band Gaps in Sulfur- and Nitrogen-Containing Porous Donor-Acceptor Polymers

scientific article

The ADOR mechanism for the synthesis of new zeolites.

scientific article

The effect of the zeolite pore size on the Lewis acid strength of extra-framework cations

scientific article

The effect of water on the validity of Löwenstein's rule

scientific article published on 06 May 2019

The nature of cationic adsorption sites in alkaline zeolites--single, dual and multiple cation sites

scientific article published on 21 December 2011

The need for operando modelling of 27Al NMR in zeolites: the effect of temperature, topology and water

scientific article published in January 2023

The vibrational dynamics of carbon monoxide in a confined space-CO in zeolites

scientific article published on 05 October 2006

Themed Issue on characterization of adsorbed species

scientific article published on 27 May 2010

Theoretical investigation of CO interaction with copper sites in zeolites: periodic DFT and hybrid quantum mechanical/interatomic potential function study

scientific article published in May 2005

Theoretical investigation of dinitrosyl complexes in Cu-zeolites as intermediates in deNOx process

scientific article published on 19 January 2009

Theoretical investigation of layered zeolites with MWW topology: MCM-22P vs. MCM-56.

scientific article published on 3 April 2014

Theoretical investigation of the Friedländer reaction catalysed by CuBTC: Concerted effect of the adjacent Cu2+ sites

Thermodynamics of reversible gas adsorption on alkali-metal exchanged zeolites--the interplay of infrared spectroscopy and theoretical calculations

scientific article published on 16 January 2007

Towards operando computational modeling in heterogeneous catalysis

scientific article published on 01 November 2018

Tuning the porosity and photocatalytic performance of triazine-based graphdiyene polymers via polymorphism

scientific article published on 21 November 2018

Twinned Growth of Metal-Free, Triazine-Based Photocatalyst Films as Mixed-Dimensional (2D/3D) van der Waals Heterostructures

scientific article published on 31 August 2017

Two-Dimensional Zeolites: Current Status and Perspectives

scientific article published on 21 February 2014

UTL zeolite and the way beyond

Understanding the Structure of Cationic Sites in Alkali Metal-Grafted USY Zeolites

Variable-temperature IR spectroscopic and theoretical studies on CO2 adsorbed in zeolite K-FER

scientific article published on 23 February 2011

Water Photolysis in Rare Gas Environment: The CASPT2 Excited State H2O(A)-Ar Potential

Zeolite (In)Stability under Aqueous or Steaming Conditions

scientific article published on 11 August 2020

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