Articles avec mandats d'accès public - Lukas GrajciarEn savoir plus
Non disponibles : 4
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
Exigences : German Research Foundation
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
Exigences : Government of Spain
Low‐memory iterative density fitting
L Grajciar
Journal of Computational Chemistry 36 (20), 1521-1535, 2015
Exigences : German Research Foundation
Structure Determination of the Oxygen Evolution Catalyst Mössbauerite
P Lyu, M Ertl, CJ Heard, L Grajciar, AV Radha, T Martin, J Breu, ...
The Journal of Physical Chemistry C 123 (41), 25157-25165, 2019
Exigences : German Research Foundation
Disponibles quelque part : 5
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
Exigences : UK Engineering and Physical Sciences Research Council
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
Exigences : European Commission
Fast room temperature lability of aluminosilicate zeolites
CJ Heard, L Grajciar, CM Rice, SM Pugh, P Nachtigall, SE Ashbrook, ...
Nature communications 10 (1), 4690, 2019
Exigences : UK Biotechnology and Biological Sciences Research Council, UK Engineering …
PbS clusters embedded in sodalite zeolite cavities of different compositions: Unraveling the structural evolution and optical properties using ab initio calculations
L Grajciar
The Journal of Physical Chemistry C 120 (47), 27050-27065, 2016
Exigences : German Research Foundation
A machine learning approach for dynamical modelling of Al distributions in zeolites via 23 Na/27 Al solid-state NMR
C Lei, C Bornes, O Bengtsson, A Erlebach, B Slater, L Grajciar, CJ Heard
Faraday Discussions, 2024
Exigences : UK Engineering and Physical Sciences Research Council, European Commission
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