Frank De Proft

Vrije Universiteit Brussel

Belgium

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Articles (20)

Role of alkaline-earth metal in catalysed imine hydrogenations

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Year:

2024

Enantioselective, Bro̷nsted Acid-Catalyzed Anti-selective Hydroamination of Alkenes

Article Link

Year:

2024

Combining extrapolated electron localization functions and Berlin’s binding functions for the prediction of dissociative electron attachment

Article Link

Year:

2024

Extending the Scope of Conceptual Density Functional Theory with Second Order Analytical Methodologies

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Year:

2024

The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling

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Year:

2023

Mechanochemical Felkin-Anh Model: Achieving Forbidden Reaction Outcomes with Mechanical Force

Article Link

Year:

2023

Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation

Article Link

Year:

2023

Unravelling the Mechanism and Governing Factors in Lewis Acid and Non-Covalent Diels–Alder Catalysis: Different Perspectives

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Year:

2023

Photoactivation of titanium-oxo cluster [Ti 6O 6(OR) 6(O 2C tBu) 6]

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Year:

2023

Investigating the Linear Response Function under Approximations Following the Coupled-Perturbed Approach for Atoms and Molecules

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Year:

2023

Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)–PNP–Pincer Complex

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Year:

2023

Wandering through quantum-mechanochemistry: from concepts to reactivity and switches

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Year:

2023

Total revalorization of high impact polystyrene (HIPS)

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Year:

2023

The electrophilic aromatic bromination of benzenes

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Year:

2023

Assessing the Reactivity of the Na3PS4 Solid-State Electrolyte with the Sodium Metal Negative Electrode Using Total Trajectory Analysis with Neural-Network Potential Molecular Dynamics

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Year:

2023

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

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Year:

2022

Conceptual density functional theory for temporary anions stabilized by scaled nuclear charges

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Year:

2022

Properties of the density functional response kernels and its implications on chemistry

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Year:

2022

A sustainable way of recycling polyamides: dissolution and ammonolysis of polyamides to diamines and diamides using ammonia and biosourced glycerol

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Year:

2022

[Fe4S4] cubane in sulfite reductases: new insights into bonding properties and reactivity

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Year:

2022

Collaborators (26)

Stijn Fias

Vrije Universiteit Brussel

BELGIUM

John Dobson

Emeritus professor

Griffith University

AUSTRALIA

Tim Gould

Associate Professor

Griffith University

AUSTRALIA

Tom Bettens

Vrije Universiteit Brussel

BELGIUM

Ulrich Hennecke

Vrije Universiteit Brussel

BELGIUM

Paul W. Ayers

McMaster University

CANADA

Lieven Bekaert

Vrije Universiteit Brussel

BELGIUM

Xavier Deraet

Vrije Universiteit Brussel

BELGIUM

Remco Havenith

assistant professor

University of Groningen

NETHERLANDS

Constantin G. Daniliuc

Akad. Oberrat / Head of X-Ray Department

Westfälische Wilhelms-Universität Münster

GERMANY

Jochen Eeckhoudt

Vrije Universiteit Brussel

BELGIUM

Charlotte Titeca

Vrije Universiteit Brussel

BELGIUM

Sebastian D. Pike

University of Warwick

UNITED KINGDOM

Shubin Liu

University of North Carolina

UNITED STATES

Eline Desmedt

Vrije Universiteit Brussel

BELGIUM

Ruben Van Lommel

Vrije Universiteit Brussel

BELGIUM

Frederik Tielens

Vrije Universiteit Brussel

BELGIUM

Bart De Tobel

Vrije Universiteit Brussel

BELGIUM

Ana V. Cunha

Assistant Professor

University of Antwerp

BELGIUM

Freija De Vleeschouwer

Vrije Universiteit Brussel

BELGIUM

Piotr Piecuch

UNITED STATES

Trevor Hamlin

University of Amsterdam

NETHERLANDS

Farnaz Heidar-Zadeh

Assistant Professor

Queen's University

CANADA

Monica Calatayud

Full Professor

Sorbonne Université

FRANCE

Katrien Bernaerts

University of Maastricht

NETHERLANDS

Mercedes Alonso

Vrije Universiteit Brussel (VUB)

BELGIUM

Frank De Proft

Research Interests

Explore related searches

Contact this professor

Articles (20)

Role of alkaline-earth metal in catalysed imine hydrogenations

Enantioselective, Bro̷nsted Acid-Catalyzed Anti-selective Hydroamination of Alkenes

Combining extrapolated electron localization functions and Berlin’s binding functions for the prediction of dissociative electron attachment

Extending the Scope of Conceptual Density Functional Theory with Second Order Analytical Methodologies

The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling

Mechanochemical Felkin-Anh Model: Achieving Forbidden Reaction Outcomes with Mechanical Force

Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation

Unravelling the Mechanism and Governing Factors in Lewis Acid and Non-Covalent Diels–Alder Catalysis: Different Perspectives

Photoactivation of titanium-oxo cluster [Ti 6O 6(OR) 6(O 2C tBu) 6]

Investigating the Linear Response Function under Approximations Following the Coupled-Perturbed Approach for Atoms and Molecules

Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)–PNP–Pincer Complex

Wandering through quantum-mechanochemistry: from concepts to reactivity and switches

Total revalorization of high impact polystyrene (HIPS)

The electrophilic aromatic bromination of benzenes

Assessing the Reactivity of the Na3PS4 Solid-State Electrolyte with the Sodium Metal Negative Electrode Using Total Trajectory Analysis with Neural-Network Potential Molecular Dynamics

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Conceptual density functional theory for temporary anions stabilized by scaled nuclear charges

Properties of the density functional response kernels and its implications on chemistry

A sustainable way of recycling polyamides: dissolution and ammonolysis of polyamides to diamines and diamides using ammonia and biosourced glycerol

[Fe4S4] cubane in sulfite reductases: new insights into bonding properties and reactivity

Collaborators (26)

Stijn Fias

John Dobson

Tim Gould

Tom Bettens

Ulrich Hennecke

Paul W. Ayers

Lieven Bekaert

Xavier Deraet

Remco Havenith

Constantin G. Daniliuc

Jochen Eeckhoudt

Charlotte Titeca

Sebastian D. Pike

Shubin Liu

Eline Desmedt

Ruben Van Lommel

Frederik Tielens

Bart De Tobel

Ana V. Cunha

Freija De Vleeschouwer

Piotr Piecuch

Trevor Hamlin

Farnaz Heidar-Zadeh

Monica Calatayud

Katrien Bernaerts

Mercedes Alonso

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