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Advances in theory and their application within the field of zeolite chemistry
Online Contents | 2015| -
Molecular modeling within zeolite catalysis : the methanol-to-olefin process as a case study
Free accessBASE | 2018| -
Unraveling the thermodynamic conditions for negative gas adsorption in soft porous crystals
Free accessBASE | 2019| -
Unravelling thermal stress due to thermal expansion mismatch in metal–organic frameworks for methane storage
Royal Society of Chemistry | 2021| -
First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study
Online Contents | 2014| -
Reliably modeling the mechanical stability of rigid and flexible metal-organic frameworks
Free accessBASE | 2017| -
First principle kinetic studies of zeolite-catalyzed reactions relevant for the MTO process
Free accessBASE | 2011| -
Insights into the mechanism and reactivity of zeolite-catalyzed alkylphenol dealkylation
Free accessBASE | 2022| -
DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes
Free accessBASE | 2016| -
DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes
American Institute of Physics | 2016| -
DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes
Free accessArXiv | 2016| -
Towards molecular control of elementary reactions in zeolite catalysis by advanced molecular simulations mimicking operating conditions
National licenceRoyal Society of Chemistry | 2016| -
Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal–Organic Frameworks
American Chemical Society | 2018| -
Hydrocarbon Bond Dissociation Enthalpies: From Substituted Aromatics to Large Polyaromatics
Online Contents | 2006|
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