Loris Delafosse, Vincent Robert and Saad Yalouz published a new paper, “Orthogonally constrained CASSCF framework: Newton–Raphson orbital optimization and nuclear gradients” in The Journal of Chemical Physics
Read moreVincent Robert and coworkers published a new paper, “Dynamic Electromerism: Correlated Rotational and Cross-Conjugation Dynamics in DAMN (DiAminoMaleoNitrile) and DAFN (DiAminoFumaroNitrile) Derivatives” in the Journal of the American Chemical Society
Read moreEven Chiari, Wafa Makhlouf, Lucie Pepe, Saad Yalouz and coworkers published a new paper, “Ab initio polaritonic chemistry on diverse quantum computing platforms: Ansatz circuit design for qubit, qudit, and hybrid qubit-qumode architectures” in Physical Review A
Read moreChantal Daniel and coworkers published a new paper, “Bright Circularly Polarized Electrochemiluminescence from Heterobinuclear IrIII–AuI Enantiomers” in Angewandte Chemie
Read moreWafa Makhlouf, Emmanuel Fromager and coworker published a new paper, “Local Potential Functional Embedding Theory of Molecular Systems: Localized Orbital-Based Embedding from an Exact Density-Functional Perspective” in Journal of Chemical Theory and Computation
Read more
