The C3H3NO family of isomers is relevant in astrochemistry, even though its members are still elusive in the interstellar medium. To identify the best candidate for astronomical detection within this...
The first-, second-, and third-order molecular nonlinear optical properties, including twophoton absorption of a series of derivatives, involving two dithienylethene (DTE) groups connected by several...
Title: Relaxation dynamics of 3He and 4He clusters and droplets studied using near infrared and visible fluorescence excitation spectroscopy Authors: ...
Title: Hybrid QM:QM method for chemically accurate adsorption thermodynamics and isotherms Authors: Kaido Sillar DOI: 10.1016/B978-0-443-26596-9.00007-7 Date: 2026-03-01 Working Group: ...
On 19–20 May 2026, researchers from across Europe came together at the CECAM headquarters at EPFL Lausanne for the ...
The COST Action CA21101 COSY Training School “Fundamental Insights to Weak Interactions: Interplay of Theory and Spectroscopic Experiments. Confined ...
The COST COSY Training School on Computational Chemistry – Applications in Scientific Research was successfully held on 11–12 June 2026 at the University of ...
Doped graphene nanoribbons (DGNRs), obtained from partial reduction of doped graphene oxide nanoribbons, exhibit tunable electronic properties that make them promising for CO2 capture. Using first-pri...
Graphical Abstract. Ab Initio Benchmarking. State-of-the-art ab initio benchmarks for Cu and Pd-Cu clusters (up to six atoms) provide reliable harmonic wavenumbers and assess DFT accuracy for IR/Raman...
Accurate prediction of vibrational spectra of subnanometric transition-metal clusters is essential for their experimental identification and for understanding structure–property relationships relevant...
