Title: A practical post-Hartree-Fock approach describing open-shell metal cluster-support interactions. Application ...
Title: Role of dark states and Stokes shift simulations for tetraphenylpyrazine compared to other ...
Title: Raman optical activity study of deuterated sugars: deuterium labelling as ...
Title: Absolute control over the quantum yield of a photodissociation reaction ...
On September 26-27, 2024, the CATCOSY Meeting was held at CSIC, Madrid. It gathered experts in metal and metal-oxide ...
Title: Electrostatic Preorganization in Three Distinct Heterogeneous Proteasome β-Subunits Authors: Silvia Ferrer, Vicent Moliner, Katarzyna Świderek DOI: https://doi.org/10.1021/acscatal.4c04964 Date: October ...
For three rare isotopologues of carbon dioxide, 18O12C18O (828, according to a well-established shorthand notation), 17O12C18O (728), and 18O13C18O (838), 3923, 4318, and 1058 empirical rovibrational...
Title: Anisole–Water and Anisole–Ammonia Complexes in Ground and Excited (S1) States: ...
Title: Optimization of Non-Polarizable and Polarizable Force Fields and Their Application ...
Title: The W2024 Database of the Water Isotopologue H216O Authors: T. Furtenbacher, R. Tóbiás, J. Tennyson, R. R. Gamache, and ...
