Cristina Puzzarini, University of Bologna, Italy: Quantum-chemical calculation of spectroscopic parameters (log in to access)
Edina Rosta, King's College London, UK: Coarse graining and molecular kinetics from biased simulations (log in to access)
Benoit Mignolet: Exploring the thioformaldehyde S-oxide sulfine photochemistry and its photoexcitation by ultrashort laser pulses (log in to access)
Robert Doerksen, University of Mississippi, USA: Computational Medicinal Chemistry
Gershom (Jan) Martin, Weizmann Institute of Science, Israel: Benchmarking reaction energies and barrier heights (log in to access)
Mark E. Casida, Université Grenoble-Alpes, France: Understanding TD-DFT
Annia Galano, Universidad Autónoma Metropolitana-Iztapalapa, Mexico: Predicting Antioxidant Capacity: Theoretical Chemistry Matching Experiments (log in to access)
Michael Medvedev: Accuracy of DFT self-consistent electron densities (log in to access)
Denis Jacquemin, University of Nantes, France: Using TD-DFT to rationalize the optical spectra of organic compounds (log in to access)
Shirin Faraji, University of Groningen, Netherlands: Quantum dynamics and its theoretical challenges (log in to access)
James Gauld, University of Windsor, Canada: Computational enzymology (log in to access)
Henrique J: Molecular Magnetic Compounds: Calculating magnetic couplings using DFT Method (log in to access)
Marcel Nooijen, University of Waterloo, Canada: Coupled cluster methods (log in to access)
Edina Rosta, King's College London, UK: Coarse graining and molecular kinetics from biased simulations (log in to access)
{text}{text}