Frank De Proft at Vrije Universiteit Brussel - Research Interests, Publications & Academic Profile

Frank De Proft

Vrije Universiteit Brussel

Belgium

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Research Interests

Physical Chemistry

70%

Materials Chemistry

60%

Molecular Physics

70%

Electronic Structure

50%

Mechanistic Chemistry

40%

Ligand Field Theory

40%

Metal Chemistry

40%

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Articles20

Role of alkaline-earth metal in catalysed imine hydrogenations

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Year:

2024

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

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2024

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

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2024

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

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2024

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

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2023

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

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2023

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

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2023

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

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2023

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

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2023

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

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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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2023

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

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2023

Total revalorization of high impact polystyrene (HIPS)

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2023

The electrophilic aromatic bromination of benzenes

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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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2023

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

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2022

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

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2022

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

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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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2022

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

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Year:

2022

Collaborators23

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

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

Sebastian D. Pike

University of Warwick

UNITED KINGDOM

Shubin Liu

University of North Carolina

UNITED STATES

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

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