Absolute control over the quantum yield of a photodissociation reaction mediated by nonadiabatic couplings
Title: Absolute control over the quantum yield of a photodissociation reaction ...
Electrostatic Preorganization in Three Distinct Heterogeneous Proteasome β-Subunits
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 ...
Anisole–Water and Anisole–Ammonia Complexes in Ground and Excited (S1) States: A Multiconfigurational Symmetry-Adapted Perturbation Theory (SAPT) Study
Title: Anisole–Water and Anisole–Ammonia Complexes in Ground and Excited (S1) States: ...
MARVEL Analysis of High-Resolution Rovibrational Spectra of 18O12C18O, 17O12C18O, and 18O13C18O Isotopologues of Carbon Dioxide
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...
Optimization of Non-Polarizable and Polarizable Force Fields and Their Application to Model Compounds
Title: Optimization of Non-Polarizable and Polarizable Force Fields and Their Application ...
The W2024 Database of the Water Isotopologue H216O
Title: The W2024 Database of the Water Isotopologue H216O Authors: T. Furtenbacher, R. Tóbiás, J. Tennyson, R. R. Gamache, and ...
CO2 and NO2 formation on amorphous solid water
Title: CO2 and NO2 formation on amorphous solid water Authors: Meenu Upadhyay, Markus Meuwly DOI: https://doi.org/10.1051/0004-6361/202450091 Date: 30/08/2024 Working Group: WG5 Grant ...
One- and two-photon brightness of proteins interacting with gold. A closer look at gold–insulin conjugates
Title: One- and two-photon brightness of proteins interacting with gold. A closer look ...
First close-coupling study of the excitation of a large cyclic molecule: collision of c-C5H6 with He
Title: First close-coupling study of the excitation of a large cyclic molecule: collision of c-C5H6 ...
Simulating high-pressure surface reactions with molecular beams
Title: Simulating high-pressure surface reactions with molecular beams Authors: Amjad Al Taleb, Frederik Schiller, Denis V. ...
