The 4th European Symposium on Chemical Bonding (CBOND2024) was held at the Vrije Universiteit Amsterdam, The Netherlands, from 24 to 27 September 2024.
SCOPE
The primary objective of CBOND2024 is the exchange of the latest developments and ideas in the field of chemical bonding.
Tuesday 24 September
08:30 – 09:15 | Registration + coffee and tea
09:15 – 09:30 | Opening by F. Matthias Bickelhaupt
Chair: F. Matthias Bickelhaupt
09:30 – 10:10 | Sason Shaik | Charge-Shift Bonding: A Unique Class of Chemical Bonding
10:10 – 10:40 | Bernoît Braïda | Understanding and modelling catalytic reactions with valence bond diagrams
10:40 – 10:55 | Lucas de Azevedo Santos | Intermolecular Covalent Interactions
10:55 – 11:30 | Coffee break
Chair: Ralf Tonner-Zech
11:30 – 12:00 | Remco Havenith | Ring currents in metal complexes and dyes
12:00 – 12:30 | Avital Shurki | Improved VB Structures and the ability to better Understand and Design Your Own Molecule?
12:30 – 13:00 | Martin Rahm | Superconducting Radical Pancakes
13:00 – 14:00 | Lunch
Chair: Miquel Solà
14:00 – 14:40 | Laura Orian | Redox Mysteries of Selenium Catalyzed Reduction of H2O2
14:40 – 15:10 | Jean-Philip Piquemal | Pushing Quantum Chemistry Accuracy: from Many-body Dispersion Corrected Density Functional Theory to Quantum Computing
15:10 – 15:25 | Philippe Lainé | Electron Chemistry
15:25 – 15:40 | Eugen Schwarz | Bonding in δ-[UO3]: Huge O-2p Spin-Orbit Splitting Observed (‘Pushing from below’ by the U-6p6-pseudo-core)
15:40 – 16:10 | Coffee break
Chair: Célia Fonseca Guerra
16:10 – 16:50 | Odile Eisenstein | Nucleophilic addition with computations: From the Felkin-Anh rule to the Grignard reaction
16:50 – 17:20 | Sebastian Kozuch | Defining the Chemical Bond A Puzzle in Philosophy of Chemistry and in Chemical Education
17:20 – 17:35 | Abel de Cozar | Selectivity and solvent effects in alkyne cationic cyclizations
17:35 – 17:50 | Daniela Rodrigues Silva | Nature and Strength of Group-14 A–A' Bonds
17:50 – 18:00 | Conference photo
18:00 – 20:00 | Poster session and walking dinner
* Keynote | Invited | Contributed
Wednesday 25 September
Chair: Pascal Vermeeren
09:00 – 09:40 | Henry F. Schaefer III | Quantum Chemistry and Computer Science: A Tightly Connected Parallel Development
09:40 – 10:10 | Tzonka Mineva | Weak CH...O hydrogen bonds in zeolites – organic structure directing agents: identification and thermal stability
10:10 – 10:25 | Paweł Wieczorkiewicz | Electron density of delocalized bonds (EDDB) – a powerful tool for studying electron delocalization
10:25 – 10:40 | Stefano Racioppi | Electrides and Core-Electrons Bonding. When Alkali Metals Feel the Pressure
10:40 – 11:15 | Coffee break
Chair: Ángel Martín Pendás
11:15 – 11:45 | Maarten Goesten | Shaping singularities in a high-temperature superconductor
11:45 – 12:15 | Richard Dronskowski | The Best of Two Quantum Worlds: LOBSTER
12:15 – 12:45 | Ralf Tonner-Zech | Surface-mediated reactivity: chemistry on and with the surface
12:45 – 13:00 | Yannick Carissan | Chiral Electron Clouds: Investigating Aromatic Character in Azulene-derived Helical Structures
13:00 – 14:00 | Lunch
Chair: Paul Popelier
14:00 – 14:40 | Eva Zurek | Chemical Bonding in Predicted Superconductors
14:40 – 15:10 | Paola Belanzoni | Computational Modeling of Cooperative Small Molecule Activation by Apolar / Weakly Polar Bonds
15:10 – 15:25 | Peifeng Su | Energy decomposition analysis for intermolecular interactions and chemical bonds in complex systems
15:25 – 15:40 | Patrick Bultinck | Quantum Information Patterns Between Atoms in a Molecule
15:40 – 16:10 | Coffee break
Chair: Célia Fonseca Guerra
16:10 – 16:40 | Arne Lüchow | Many-Electron Probability Density Analysis as Tool for Chemical Bonding Analysis
16:40 – 16:55 | Celine Nieuwland | Chalcogen Atom Size: A Key Parameter in Tuning Amide Hydrogen Bonding
19:00 – 21:00 | Dinner cruise
* Keynote | Invited | Contributed
Thursday 26 September
Chair: Trevor A. Hamlin
09:00 – 09:40 | Frank De Proft | Investigation of Chemical Bonding through (Conceptual) Density Functional Theory Based Quantities
09:40 – 10:10 | Johannes Klein | Breaking X-H Bonds via PCET: The Role of Metal-Metal Bonds in Dinuclear Au(II) Complexes
10:10 – 10:25 | Ajitha John | PN3P-Ruthenium Pincer Catalysis: Exploring MLC vs. Non-MLC Pathways in FA Dehydrogenation
10:25 – 10:40 | Leonardo Duarte | Manipulating chemical bonds with IR radiation.
10:40 – 11:15 | Coffee break
Chair: Frank De Proft
11:15 – 11:45 | Stéphane Humbel | Valence bond components and one-electron densities
11:45 – 12:00 | Agnes Kütt | Reactivity of Diarylnitrenium Ions
12:00 – 12:15 | Irene Casademont Reig | Pursuit of Singlet Fission Fulvenes Candidates Using Inverse Design
12:15 – 12:30 | Mitchell Lahm | Concordant Mode Approach for Molecular Vibrations
12:30 – 13:00 | Simon Grabowsky | X-ray fitted wavefunctions and their information contents
13:00 – 14:00 | Lunch
Chair: Mercedes Alonso
14:00 – 14:40 | Miquel Solà | Excited state (anti)aromaticity in organic molecules
14:40 – 15:10 | Ángel Martín Pendás | To use or not to use references: that is the question
15:10 – 15:40 | Israel Fernández | Understanding and Enhancing the Reactivity of Frustrated Lewis Pairs
15:40 – 16:10 | Coffee break
Chair: Odile Eisenstein
16:10 – 16:50 | Catharine Esterhuysen | Probing the continuum of covalent contributions to noncovalent interactions
16:50 – 17:20 | Jordi Poater | Strengthened Cooperativity of DNA-based Cyclic Hydrogen-Bonded Macrocycles
17:30 – 18:15 | ECCB general assembly
18:15 – 20:30 | ECCB board dinner
* Keynote | Invited | Contributed
Chair: Pascal Vermeeren
09:00 – 09:40 | Alejandro Toro-Labbé | The Basis Electronic Activity of Chemical Systems. A Theory of Bond Reactivity
09:40 – 10:10 | Teodorico de Castro Ramalho | Innovation and Opportunities in Developing Molecules for the Agrochemical and Defense Industries: From Theory to Technology
10:10 – 10:40 | Chris Slootweg | A Radical Approach to Main-group Chemistry
10:40 – 11:15 | Coffee break
Chair: F. Matthias Bickelhaupt
11:15 – 11:55 | Gabriel Merino | Planar Hypercoordinate Atoms
11:55 – 12:10 | Shailja Jain | Unlocking the Secrets of Charge-Shift Bonding, Delocalization, and Aromaticity in Germanazene and Its Heavier Group 14 Analogues: A Valence Bond Theory
12:10 – 12:25 | Scott Simpson | Understanding the Bonding of N-heterocyclic Carbenes on Pd/Cu(111) Single Atom Alloys
12:25 – 12:55 | Mercedes Alonso | Deconvoluting the role of electrostatics in metal carbonyl bonding
12:55 – 13:05 | Poster prizes
13:05 – 13:15 | Closing
13:15 – 14:00 | Lunch (Suitable for take-away)
* Keynote | Invited | Contributed