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Design of enantioselective catalysts in MOF architectures : a combined theoretical and experimental approach
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- Conference Paper
- C3
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Modelling the effect of linker substituents on reactions in MOFs
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New functionalized metal-organic frameworks MIL-47-X (X = -Cl, -Br, -CH3, -CF3, -OH, -OCH3) : synthesis, characterization, and CO2 adsorption properties
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On the thermodynamics of framework breathing: a free energy model for gas adsorption in MIL-53
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Functionalized metal-organic frameworks: MIL-47(V)+X: a computational investigation of its properties
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- Journal Article
- A1
- open access
Insight in the activity and diastereoselectivity of various Lewis acid catalysts for the citronellal cyclization
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- Conference Paper
- C3
- open access
Design of enantioselective catalysts in MOF architectures : a combined computational and experimental approach
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- Conference Paper
- C3
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Molecular modeling of the enantioselective titaniumtartrate catalyst
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- Journal Article
- A1
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Efficient approach for the computational study of alcohol and nitrile adsorption in H-ZSM-5
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Ab initio parametrized force field for the flexible metal-organic framework MIL-53(Al)
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- Conference Paper
- C3
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Synthesis, characterization, adsorption and catalytic properties of an amino functionalized Metal-Organic Framework : NH2-MIL-47
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- Conference Paper
- C3
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A new series of V IV based metal-organic frameworks having framework flexibility and high CO2 adsorption capacity
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- Conference Paper
- C3
- open access
Design of enantioselective catalysts in MOF architectures : a combined theoretical and experimental approach
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- Conference Paper
- C3
- open access
Ab initio parameterized force field for the metal-organic framework MIL-53(Al)
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- Conference Paper
- C3
- open access
Empty host breathing profiles of MIL-53 type frameworks with various cations at the nodal points
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- Journal Article
- A1
- open access
Host-guest and guest-guest interactions between xylene isomers confined in the MIL-47(V) pore system
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- Journal Article
- A1
- open access
Mechanistic insight into the cyclohexene epoxidation with VO(acac)₂ and tert-butyl hydroperoxide
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Electronic effects of linker substitution on Lewis acid catalysis with metal-organic frameworks
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- Conference Paper
- C3
- open access
Modeling Lewis acid catalyzed reactions in MOFs : how to solve the challenges?
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- Conference Paper
- C3
- open access
Electronic modification and controlled defect introduction improve the catalytic activity of Zr-MOFs