LiNbO3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded i

Mendeley Data2024-01-31 更新180

Disulfur Dichloride Transition State ClSSCl to ClSSCl

分子动力学

化学键

The transition state of the ClSSCl molecule rotating about the SS bond.

DataCite Commons2020-09-05 更新80

Structure and Bonding in β-HMX-Characterization of a Trans-Annular N···N Interaction

化学键

分子间相互作用

Chemical bonding in the β-phase of the 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX) crystal based on the experimental electron density obtained from X-ray diffraction data at 20 K, and solid s

NIAID Data Ecosystem70

Materials Data on UPt3 by Materials Project

材料科学

化学键

UPt3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U6+ is bonded to twelve equivalent Pt2- atoms to form a mixture of corner

Mendeley Data2024-01-31 更新100

The data for “Machine Learning Models for Evaluating Biological Reactivity within Molecular Fingerprints of Dissolved Organic Matter over time”

反应性

机器学习

This is the data in the manuscript \"Machine learning models for evaluating biological reactivity within molecular fingerprints of dissolved organic matter over time\". It includes the time-course bio

DataONE2024-02-14 更新80

Data from: Insight into The Nature of Rim Bonds in Coronene

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