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Quantum Chemical Modeling of Zeolite-Catalyzed Methylation Reactions: Toward Chemical Accuracy for Barriers

Journal of the American Chemical Society, 2009-01, Vol.131 (2), p.816-825

2009

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Regioselectivity of Al–O Bond Hydrolysis during Zeolites Dealumination Unified by Brønsted–Evans–Polanyi Relationship

ACS catalysis, 2015-01, Vol.5 (1), p.11-15

2015

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Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory

Journal of computational chemistry, 2008-10, Vol.29 (13), p.2088-2097

2008

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tert-Butyl Cation in H-Zeolites: Deprotonation to Isobutene and Conversion into Surface Alkoxides

Angewandte Chemie (International ed.), 2010-06, Vol.49 (27), p.4678-4680

2010

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Quantum Chemical Modeling of Benzene Ethylation over H-ZSM-5 Approaching Chemical Accuracy: A Hybrid MP2:DFT Study

Journal of the American Chemical Society, 2010-08, Vol.132 (33), p.11525-11538

2010

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Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt201 Immersed in Water

Small (Weinheim an der Bergstrasse, Germany), 2016-10, Vol.12 (38), p.5312-5319

2016

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Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt 201 Immersed in Water

Small (Weinheim an der Bergstrasse, Germany), 2016-10, Vol.12 (38), p.5312-5319

2016

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Grafting trimethylaluminum and its halogen derivatives on silica: general trends for (27)Al SS-NMR response from first principles calculations

Physical chemistry chemical physics : PCCP, 2015-10, Vol.17 (40), p.26937-26945

2015

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Grafting trimethylaluminum and its halogen derivatives on silica: general trends for Al-27 SS-NMR response from first principles calculations

Physical chemistry chemical physics : PCCP, 2015, Vol.17 (40)

2015

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Grafting trimethylaluminum and its halogen derivatives on silica: general trends for 27 Al SS-NMR response from first principles calculations

Physical chemistry chemical physics : PCCP, 2015-10, Vol.17 (40), p.26937-26945

2015

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Grafting trimethylaluminum and its halogen derivatives on silica: general trends for 27Al SS-NMR response from first principles calculationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp04109k

2015-10

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Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt sub(201) Immersed in Water

Small (Weinheim an der Bergstrasse, Germany), 2016-10, Vol.12 (38), p.5312-5319

2016

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Grafting trimethylaluminum and its halogen derivatives on silica: general trends for super(27)Al SS-NMR response from first principles calculations

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (40), p.26937-26945

2015

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Adsorption and Diffusion of Fructose in Zeolite HZSM-5: Selection of Models and Methods for Computational Studies

Journal of physical chemistry. C, 2011-11, Vol.115 (44), p.21785-21790

2011

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QMX: A versatile environment for hybrid calculations applied to the grafting of Al2Cl3Me3 on a silica surface

Journal of computational chemistry, 2013-05, Vol.34 (13), p.1155-1163

2013

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QMX: A versatile environment for hybrid calculations applied to the grafting of Al 2 Cl 3 Me 3 on a silica surface

Journal of computational chemistry, 2013-05, Vol.34 (13), p.1155-1163

2013

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QMX: A versatile environment for hybrid calculations applied to the grafting of Al^sub 2^Cl^sub 3^Me^sub 3^ on a silica surface

Journal of computational chemistry, 2013-05, Vol.34 (13), p.1155

2013

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Das tert-Butylkation in H-Zeolithen: Deprotonierung zu Isobuten und Umwandlung in Oberflächenalkoxide

Angewandte Chemie, 2010-06, Vol.122 (27), p.4783-4786

2010

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Adsorption and Diffusion of Fructose in Zeolite HZSM-5: Selection of Models and Methods for Computational Studies

Journal of physical chemistry. C, 2011-11, Vol.115 (44)

2011

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Das tert‐Butylkation in H‐Zeolithen: Deprotonierung zu Isobuten und Umwandlung in Oberflächenalkoxide

Angewandte Chemie, 2010-06, Vol.122 (27), p.4783-4786

2010

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Direct Imaging of Chiral Domain Walls and Néel‐Type Skyrmionium in Ferrimagnetic Alloys

Advanced functional materials, 2021-08, Vol.31 (33), p.n/a

2021

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A Pliocene–Pleistocene continental biota from Venezuela

Swiss journal of palaeontology, 2021-12, Vol.140 (1), p.9-76, Article 9

2021

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EGFR/CD16A tetravalent bispecific antibody AFM24 to engage NK-cells to kill EGFR expressing tumor cells and safety results in cynomolgus monkey studies

Journal of clinical oncology, 2017-05, Vol.35 (15_suppl), p.e14001-e14001

2017

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AFM26 - Targeting B Cell Maturation Antigen (BCMA) for NK Cell-Mediated Immunotherapy of Multiple Myeloma

Blood, 2017-12, Vol.130, p.3082-3082

2017

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Ressourcen, Verfügungsrechte und Innovationen als Determinanten verteidigungsfähiger Wettbewerbsvorteile: Ansatzpunkte zur Integration des Innovations- und Verfügungsrechtemanagements in das Ressourcen- und Kompetenzmanagement

25 Jahre ressourcen- und kompetenzorientierte Forschung, p.523-553

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Quantum Chemical Modeling of Zeolite-Catalyzed Methylation Reactions: Toward Chemical Accuracy for Barriers

Regioselectivity of Al–O Bond Hydrolysis during Zeolites Dealumination Unified by Brønsted–Evans–Polanyi Relationship

Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory

tert-Butyl Cation in H-Zeolites: Deprotonation to Isobutene and Conversion into Surface Alkoxides

Quantum Chemical Modeling of Benzene Ethylation over H-ZSM-5 Approaching Chemical Accuracy: A Hybrid MP2:DFT Study

Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt201 Immersed in Water

Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt 201 Immersed in Water

Grafting trimethylaluminum and its halogen derivatives on silica: general trends for (27)Al SS-NMR response from first principles calculations

Grafting trimethylaluminum and its halogen derivatives on silica: general trends for Al-27 SS-NMR response from first principles calculations

Grafting trimethylaluminum and its halogen derivatives on silica: general trends for 27 Al SS-NMR response from first principles calculations

Grafting trimethylaluminum and its halogen derivatives on silica: general trends for 27Al SS-NMR response from first principles calculationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp04109k

Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt sub(201) Immersed in Water

Grafting trimethylaluminum and its halogen derivatives on silica: general trends for super(27)Al SS-NMR response from first principles calculations

Adsorption and Diffusion of Fructose in Zeolite HZSM-5: Selection of Models and Methods for Computational Studies

QMX: A versatile environment for hybrid calculations applied to the grafting of Al2Cl3Me3 on a silica surface

QMX: A versatile environment for hybrid calculations applied to the grafting of Al 2 Cl 3 Me 3 on a silica surface

QMX: A versatile environment for hybrid calculations applied to the grafting of Al^sub 2^Cl^sub 3^Me^sub 3^ on a silica surface

Das tert-Butylkation in H-Zeolithen: Deprotonierung zu Isobuten und Umwandlung in Oberflächenalkoxide

Adsorption and Diffusion of Fructose in Zeolite HZSM-5: Selection of Models and Methods for Computational Studies

Das tert‐Butylkation in H‐Zeolithen: Deprotonierung zu Isobuten und Umwandlung in Oberflächenalkoxide

Direct Imaging of Chiral Domain Walls and Néel‐Type Skyrmionium in Ferrimagnetic Alloys

A Pliocene–Pleistocene continental biota from Venezuela

EGFR/CD16A tetravalent bispecific antibody AFM24 to engage NK-cells to kill EGFR expressing tumor cells and safety results in cynomolgus monkey studies

AFM26 - Targeting B Cell Maturation Antigen (BCMA) for NK Cell-Mediated Immunotherapy of Multiple Myeloma

Ressourcen, Verfügungsrechte und Innovationen als Determinanten verteidigungsfähiger Wettbewerbsvorteile: Ansatzpunkte zur Integration des Innovations- und Verfügungsrechtemanagements in das Ressourcen- und Kompetenzmanagement

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