Ensembl 2025.

Ensembl (www.ensembl.org) is an open platform integrating publicly available genomics data across the tree of life with a focus on eukaryotic species related to human health, agriculture and biodiversity.

Comprehensive determination of highly symmetric transition metal dichalcogenide multilayers.

This study expands the JAM notation to systematically explore stacking configurations of transition metal dichalcogenide (TMDC) multilayers, covering both conventional and Janus structures. We extended JAM to represent four TMDC types: 1H, 1T, Janus 1H, and Janus 1T, adding characters to describe these structures. Additionally, we updated the JAM algorithm to generate stacking configurations and produce VASP-compatible POSCAR files.

H©CuH: a covalently bonded planar pentacoordinate hydrogen star.

A hydrocopper H©CuH star with planar pentacoordinate hydrogen (ppH) was designed. This structure is the global minimum, exhibiting dynamic stability. Its planar geometry is supported by five peripheral Cu-H-Cu 3c-2e σ-bonds and a central 6c-2e σ-bond.

CHO Isomers: Insights into Potential Interstellar Species.

2-Methoxyethanol, with a formula CHO was recently identified in the massive protocluster NGC 6334I. However, its structural isomers, 1,2-propanediol and 1,3-propanediol, remain undetected despite extensive searches in the Sgr B2 region. In this study, we explored the potential energy surface of the CHO system using CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVTZ calculations, identifying 11 species, with the geminal diols 2,2-propanediol and 1,1-propanediol as the most stable forms.

Enhancing : Accurate Rate Constants with Canonical Variational Transition State Theory and the Hindered Rotor Model.

The recrossing effect and hindered rotations can lead to significant inaccuracies in rate constant calculations using transition state theory and the harmonic oscillator approximation. To address these issues, we enhanced , a -based computational tool, by integrating the canonical variational transition state theory (CVT) and the hindered rotor model, effectively mitigating the limitations of traditional methods. CVT rate constants are calculated using electronic structure data from nonstationary points along the minimum-energy path.