Frank De Proft - Eenheid Algemene Chemie (Member of the QCMM Ghent–Brussels Alliance Group), Vrije Universiteit Brussel

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

Bin Wang,Paul Geerlings,Shubin Liu,Frank De Proft

JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 3 (2024): 1169-1184

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Symmetry and Reactivity of Π-Systems in Electric and Magnetic Fields: a Perspective from Conceptual DFT

Meilani Wibowo-Teale,Bang C. Huynh,Andrew M. Wibowo-Teale,Frank De Proft,Paul Geerlings

PHYSICAL CHEMISTRY CHEMICAL PHYSICSno. 21 (2024): 15156-15180

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

Sudip Guria,Alexander N. Volkov, Raffi Khudaverdyan,Ruben Van Lommel, Rittwika Pan,Constantin G. Daniliuc,Frank De Proft,Ulrich Hennecke

JOURNAL OF THE AMERICAN CHEMICAL SOCIETYno. 25 (2024): 17180-17188

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Combining Extrapolated Electron Localization Functions and Berlin’s Binding Functions for the Prediction of Dissociative Electron Attachment

Charlotte Titeca,Thomas-C. Jagau,Frank De Proft

JOURNAL OF CHEMICAL PHYSICSno. 6 (2024)

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New Tricarboxylate Plasticizers for Use in Polylactic Acid: Synthesis, Thermal Behavior, Mechanical Properties and Durability

Anthony De Bruyne, Kenneth Cerdán Gómez,Galahad O’Rourke,Mats Denayer,Jelle Vekeman,Frank De Proft,Wouter Stuyck, Jarne Leinders,Peter Van Puyvelde,Dirk De Vos

Journal of Polymers and the Environment（2024）

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Role of Alkaline-Earth Metal in Catalysed Imine Hydrogenations

Bart De Tobel,Trevor A. Hamlin,Celia Fonseca Guerra,Sjoerd Harder,Frank De Proft,Mercedes Alonso

Polyhedron（2024）

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Total Revalorization of High Impact Polystyrene (HIPS): Enhancing Styrene Recovery and Upcycling of the Rubber Phase

Nikolaos S. Giakoumakis,Christophe Vos,Kwinten Janssens,Jelle Vekeman,Mats Denayer,Frank De Proft,Carlos Marquez,Dirk De Vos

GREEN CHEMISTRYno. 1 (2024): 340-352

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Evaluation of Green Biobased Plasticizers in Poly(vinyl Chloride): Sustainability, Thermal Behavior, Mechanical Properties, and Durability

Anthony De Bruyne,Kenneth Cerdan,Galahad O'Rourke,Wouter Stuyck, Jarne Leinders,Mats Denayer,Jelle Vekeman,Frank De Proft,Peter Van Puyvelde,Dirk E. De Vos

ACS APPLIED POLYMER MATERIALSno. 11 (2024): 6831-6842

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The Linear Response Function As a Descriptor of Non-Covalent Interactions: Hydrogen and Halogen Bonds

Paul Geerlings,Christian Van Alsenoy,Frank De Proft

THEORETICAL CHEMISTRY ACCOUNTS（2024）

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Bond Lengths and Dipole Moments of Diatomic Molecules under Isotropic Pressure with the XP-PCM and GOSTSHYP Models

Jochen Eeckhoudt,Mercedes Alonso,Paul Geerlings,Frank De Proft

JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 17 (2024): 7430-7442

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