Lukas Grajciar
Title
Cited by
Cited by
Year
A family of zeolites with controlled pore size prepared using a top-down method
WJ Roth, P Nachtigall, RE Morris, PS Wheatley, VR Seymour, ...
Nature chemistry 5 (7), 628-633, 2013
2762013
Water adsorption on coordinatively unsaturated sites in CuBTC MOF
L Grajciar, O Bludsky, P Nachtigall
The Journal of Physical Chemistry Letters 1 (23), 3354-3359, 2010
1642010
Understanding CO2 Adsorption in CuBTC MOF: Comparing Combined DFT–ab Initio Calculations with Microcalorimetry Experiments
L Grajciar, AD Wiersum, PL Llewellyn, JS Chang, P Nachtigall
The Journal of Physical Chemistry C 115 (36), 17925-17933, 2011
1262011
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 …
L Chen, L Grajciar, P Nachtigall, T Düren
The Journal of Physical Chemistry C 115 (46), 23074-23080, 2011
882011
Controlling the Adsorption Enthalpy of CO2 in Zeolites by Framework Topology and Composition
L Grajciar, J Čejka, A Zukal, C Otero Arean, G Turnes Palomino, ...
ChemSusChem 5 (10), 2011-2022, 2012
852012
Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite
P Nachtigall, O Bludský, L Grajciar, D Nachtigallova, MR Delgado, ...
Physical Chemistry Chemical Physics 11 (5), 791-802, 2009
692009
Accurate description of argon and water adsorption on surfaces of graphene-based carbon allotropes
J Kysilka, M Rubes, L Grajciar, P Nachtigall, O Bludsky
The Journal of Physical Chemistry A 115 (41), 11387-11393, 2011
592011
Towards operando computational modeling in heterogeneous catalysis
L Grajciar, CJ Heard, AA Bondarenko, MV Polynski, J Meeprasert, ...
Chemical Society Reviews 47 (22), 8307-8348, 2018
532018
Adsorption of CO2 in FAU zeolites: Effect of zeolite composition
HV Thang, L Grajciar, P Nachtigall, O Bludský, CO Areán, E Frýdová, ...
Catalysis Today 227, 50-56, 2014
512014
Periodic DFT investigation of the effect of aluminium content on the properties of the acid zeolite H-FER
L Grajciar, CO Arean, A Pulido, P Nachtigall
Physical Chemistry Chemical Physics 12 (7), 1497-1506, 2010
422010
Adsorption of propane and propylene on CuBTC metal–organic framework: combined theoretical and experimental investigation
M Rubes, AD Wiersum, PL Llewellyn, L Grajciar, O Bludsky, P Nachtigall
The Journal of Physical Chemistry C 117 (21), 11159-11167, 2013
382013
Combined theoretical and experimental investigation of CO adsorption on coordinatively unsaturated sites in CuBTC MOF
M Rubeš, L Grajciar, O Bludský, AD Wiersum, PL Llewellyn, P Nachtigall
ChemPhysChem 13 (2), 488-495, 2012
362012
Theoretical investigation of layered zeolite frameworks: Interaction between IPC-1P layers derived from zeolite UTL
L Grajciar, O Bludský, WJ Roth, P Nachtigall
Catalysis today 204, 15-21, 2013
342013
Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2+ and Fe3+ Sites in MOFs
L Grajciar, P Nachtigall, O Bludsky, M Rubes
Journal of Chemical Theory and Computation 11 (1), 230-238, 2015
332015
Control of CO 2 adsorption heats by the Al distribution in FER zeolites
P Nachtigall, L Grajciar, J Pérez-Pariente, AB Pinar, A Zukal, J Čejka
Physical Chemistry Chemical Physics 14 (3), 1117-1120, 2012
222012
Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients
R Łazarski, AM Burow, L Grajciar, M Sierka
Journal of Computational Chemistry 37 (28), 2518-2526, 2016
192016
A family of zeolites with controlled pore size prepared using a top-down method Nat
WJ Roth, P Nachtigall, RE Morris, PS Wheatley, VR Seymour, ...
Chem 5, 628-633, 2013
182013
Low‐memory iterative density fitting
L Grajciar
Journal of Computational Chemistry 36 (20), 1521-1535, 2015
132015
The Lewis acidity of three-and two-dimensional zeolites: The effect of framework topology
TV Ho, P Nachtigall, L Grajciar
Catalysis Today 304, 12-21, 2018
112018
Fast room temperature lability of aluminosilicate zeolites
CJ Heard, L Grajciar, CM Rice, SM Pugh, P Nachtigall, SE Ashbrook, ...
Nature communications 10 (1), 1-7, 2019
102019
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Articles 1–20