For nearly all the states dissociating into Cs (6s, 6p, 5d, 7s, 7p, 6d, 8s) and Li (2s, 2p, 3s), we present an extensive adiabatic study for 1,3Σ+, 1,3Π, and 1,3Δ symmetries of the LiCs molecule. We ...

Machine learning helps improve accuracy and efficiency of small-molecule calculations Microsoft researchers used deep learning to create new DFT model by Sam Lemonick, special to C&EN June 20, 2025 ...

Scientists have identified that the molecule cardiotrophin-like cytokine factor 1 (CLCF1) surges through the bloodstream during workouts, particularly resistance training. This protein appears to ...

Several distinct spectral lines aligned precisely with those of the aromatic molecule, confirming its presence with strong statistical significance. The seven ring polycyclic aromatic hydrocarbon (PAH ...

Biohybrid molecule uses light-driven electrons to efficiently produce hydrogen by Ruhr University Bochum edited by Lisa Lock, reviewed by Robert Egan Editors' notes ...

Abstract: Existing drug discovery pipelines take 5–10 years and cost billions of dollars. Computational approaches aim to sample from regions of the whole molecular and solid-state compounds called ...

Finding target molecules with specific chemical properties plays a decisive role in drug development. We proposed GEOM-CVAE, a constrained variational autoencoder based on geometric representation for ...

This molecule, composed of seven interconnected benzene rings and a cyano group (C₂₄H₁₁CN), was found in the cold, dark molecular cloud TMC-1, a region known for its rich chemistry and as ...

Efficient catalytic CO2 conversion by harnessing visible-light energy is a substantial challenge for sustainability. Photocatalytic materials consisting of light absorbers and catalysts have been ...