Frank De Proft

24.6k citations

432 papers · 19.7k indexed · 5 hit papers · h-index 60

Impact in

Physical and Theoretical Chemistry top 0.05%
- Crystallography and molecular interactions
Organic Chemistry top 0.05%
- Free Radicals and Antioxidants
- Organic Chemistry Cycloaddition Reactions
- Synthesis and Properties of Aromatic Compounds

Papers in

Physical and Theoretical Chemistry 130
- Crystallography and molecular interactions 70
Organic Chemistry 235
- Synthesis and Properties of Aromatic Compounds 53
- Free Radicals and Antioxidants 51
- Organic Chemistry Cycloaddition Reactions 39

Co-authors: Paul Geerlings Wilfried Langenaeker Paul W. Ayers David J. Tozer Mercedes Alonso Freija De Vleeschouwer Balázs Pintér Shubin Liu
Journals: The Journal of Physical Chemistry A (51 papers)Physical Chemistry Chemical Physics (41 papers)Chemistry - A European Journal (32 papers)The Journal of Chemical Physics (28 papers)Chemical Physics Letters (21 papers)
Partner nations: Belgium Czechia Canada

In The Last Decade

Frank De Proft

423 papers receiving 19.4k citations

Hit Papers

5 papers align trajectories log scale

Conceptual density functional theory: status, prospects, issues 2020 · 302 citations

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if any of the following hold:

it has ≥500 total citations;
it reaches ≥1.5× the top-1% citation threshold for papers in the same subfield and year (the threshold is the minimum needed to enter the top 1%, not the average within it);
it reaches the top citation threshold in at least one of its specific research topics.

2020 Theoretical Chemistry Accounts
2019 Chemical Reviews
2007 Organic Letters
2003 Chemical Reviews
2001 Chemical Reviews

Peers

Countries citing papers authored by Frank De Proft

Since Specialization

Citations

This map shows the geographic impact of Frank De Proft's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Frank De Proft with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Frank De Proft more than expected).

Fields of papers citing papers by Frank De Proft

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Frank De Proft. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Frank De Proft. The network helps show where Frank De Proft may publish in the future.

Co-authors

The 25 scholars most cited alongside Frank De Proft, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Frank De Proft Line = papers co-authored together Frank De Proft links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	A statistical theory of reactivity based on molecular orbitals participation and its application to organic reactions Physical Chemistry Chemical Physics ·Alibek Bolat, Paul Geerlings, Frank De Proft, Pablo Jaque	2025	0
2	Exploring Intrinsic Bond Properties with the Fukui Matrix from Conceptual Density Matrix Functional Theory Journal of Chemical Theory and Computation ·Bin Wang, Paul Geerlings, Farnaz Heidar‐Zadeh, Paul W. Ayers, Frank De Proft	2025	5
3	A comparative study between phenylglycine and phenylalanine derived peptide hydrogels: Towards atomic elucidation Materials Today Chemistry ·Жаканкызы Гаухар, A.Yu. Smirnov, Bumjo Oh, Yaoran Chen, Fikra Restakirana, Niko Van den Brande, Ronnie Willaert, Frank De Proft, Ulrich Hennecke, Charlotte Martin, Wouter Herrebout, Thomas L. C. Jansen, Ana V. Cunha, Steven Ballet	2025	3
4	A combined density functional and coupled-cluster theory study on correlation-bound anions of perfluorinated compounds Physical Chemistry Chemical Physics ·Tong Li, Garrette Pauley Paran, Frank De Proft, Thomas‐C. Jagau	2025	0
5	Structural and energetic properties of cluster models of anatase-supported single late transition metal atoms: a density functional theory benchmark study Journal of Molecular Modeling ·啓吾蘆田, Hou Zili, Vi̇ktorya Avi̇yente, Frank De Proft	2024	1
6	Temperature and external fields in conceptual density functional theory Chemical Science ·Marco Franco‐Pérez, Farnaz Heidar‐Zadeh, Paul W. Ayers, Frank De Proft, Alberto Vela, José L. Gázquez, Paul Geerlings	2024	5
7	Slope of the Delocalization Function Is Proportional to Analytical Hardness The Journal of Physical Chemistry Letters ·Bin Wang, Paul Geerlings, Farnaz Heidar‐Zadeh, Paul W. Ayers, Frank De Proft	2024	2
8	Role of alkaline-earth metal in catalysed imine hydrogenations Polyhedron ·Gil D. Rabinovici, Trevor A. Hamlin, Célia Fonseca Guerra, Sjoerd Harder, Frank De Proft, Mercedes Alonso	2023	3
9	Increasing the Sodium Metal Electrode Compatibility with the Na₃PS₄ Solid‐State Electrolyte through Heteroatom Substitution ChemSusChem ·Hankyu Lee, Adem Gültürk, Naoto Tanibata, Frank De Proft, Annick Hubin, Mesfin Haile Mamme, Masanobu Nakayama	2023	7
10	Investigating the Linear Response Function under Approximations Following the Coupled-Perturbed Approach for Atoms and Molecules Journal of Chemical Theory and Computation ·Bin Wang, Paul Geerlings, Christian Van Alsenoy, Farnaz Heidar‐Zadeh, Paul W. Ayers, Frank De Proft	2023	13
11	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 The Journal of Physical Chemistry C ·Hankyu Lee, Adem Gültürk, Naoto Tanibata, Frank De Proft, Annick Hubin, Mesfin Haile Mamme, Masanobu Nakayama	2023	15
12	Total revalorization of high impact polystyrene (HIPS): enhancing styrene recovery and upcycling of the rubber phase Green Chemistry ·一铮秦, Peter Gabler, K. Janssens, Jelle Vekeman, H. Schneebeli, Frank De Proft, Carlos Márquez, Dirk De Vos	2023	13
13	The electrophilic aromatic bromination of benzenes: mechanistic and regioselective insights from density functional theory Physical Chemistry Chemical Physics ·啓吾蘆田, Zhiqi Lu, A.Yu. Smirnov, Véronique Van Speybroeck, Frank De Proft	2023	1
14	Nanostructured materials and heterogeneous catalysis: a succinct review regarding DeNox catalysis Comptes Rendus Chimie ·Dominique Bazin, Jelle Vekeman, Qing Wang, 啓吾蘆田, Frank De Proft, Hazar Guesmi, Frederik Tielens	2022	6
15	Conceptual density functional theory for temporary anions stabilized by scaled nuclear charges The Journal of Chemical Physics ·Tong Li, Frank De Proft, Thomas‐C. Jagau	2022	5
16	Mechanistic Characterization of Zeolite-Catalyzed Aromatic Electrophilic Substitution at Realistic Operating Conditions SHILAP Revista de lepidopterología ·Massimo Bocus, Louis Vanduyfhuys, Frank De Proft, Bert M. Weckhuysen, Véronique Van Speybroeck	2022	26
17	Alkaline Earth Metals Activate N₂ and CO in Cubic Complexes Just Like Transition Metals: A Conceptual Density Functional Theory and Energy Decomposition Analysis Study Chemistry - A European Journal ·M.M. Sarshar, Sudip Pan, Frank De Proft, Gernot Frenking, Paul Geerlings	2020	21
18	Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation Chemistry - A European Journal ·啓吾蘆田, Jan Turek, Mercedes Alonso, Frederik Tielens, Stefaan Cottenier, Paul W. Ayers, Bert M. Weckhuysen, Frank De Proft	2020	17
19	Synthesis and Reactivity of Spirocarbocycles as Scaffolds for Nucleoside Analogues The Journal of Organic Chemistry ·Jonas Verhoeven, 啓吾蘆田, Vineet Pande, Weimei Sun, Mercedes Alonso, Frank De Proft, Lieven Meerpoel, Jan Willem Thuring, Guido Verniest	2020	1
20	Diferulate: A highly effective electron donor Journal of Electroanalytical Chemistry ·Jan Vacek, Martina Zatloukalová, Jiřı́ Vrba, Freija De Vleeschouwer, Frank De Proft, 杨自俭, Romana Sokolová, Jiří Pospíšil	2020	4

About Frank De Proft

Frank De Proft is a scholar working on Physical and Theoretical Chemistry, Organic Chemistry, Inorganic Chemistry, Atomic and Molecular Physics, and Optics and Catalysis, having authored 432 papers that have together received 19.7k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (160 papers), Crystallography and molecular interactions (70 papers), Synthesis and Properties of Aromatic Compounds (53 papers), Free Radicals and Antioxidants (51 papers), Spectroscopy and Quantum Chemical Studies (40 papers), Synthesis and characterization of novel inorganic/organometallic compounds (39 papers), Organic Chemistry Cycloaddition Reactions (39 papers) and Molecular Junctions and Nanostructures (36 papers). The work is most often cited by research in Physical and Theoretical Chemistry (4.2k citations), Organic Chemistry (10.6k citations), Inorganic Chemistry (2.8k citations), Atomic and Molecular Physics, and Optics (5.7k citations) and Materials Chemistry (5.6k citations). Frank De Proft has collaborated with scholars based in Belgium, Czechia and Canada. Frequent co-authors include Paul Geerlings, Wilfried Langenaeker, Paul W. Ayers, David J. Tozer, Mercedes Alonso, Freija De Vleeschouwer, Balázs Pintér, Shubin Liu, Thijs Stuyver and Stijn Fias. Their work appears in journals such as The Journal of Physical Chemistry A, Physical Chemistry Chemical Physics, Chemistry - A European Journal, The Journal of Chemical Physics and Chemical Physics Letters.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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