相关数据集
Data for: "Revealing the Effect of sp 3 Carbons on Electronic and Optical Properties of Graphene Quantum Dots Using Density Functional Theory"
Coordinates of structures and optical absorption calculations results (Gaussian .log format).The structures are based on the C54H18 graphene quantum dot and contain 1, 2 or 6 sp3 carbon atoms in vario
DataCite Commons2025-06-30 更新90
Maximum value of the resolved shear stress at different lattice orientations.
Maximum value of the resolved shear stress at different lattice orientations.
Figshare2021-03-17 更新30
SAGE Code and Data
Zip includes commented Jupyter notebook with associated data files. Abstract for paper is:Autonomous materials research labs require the ability to combine and learn from diverse data streams. This is
IEEE20
Structural Changes upon Reduction of Dipyrido[2,3-a:3‘,2‘-c]phenazine Probed by Vibrational Spectroscopy, ab Initio Calculations, and Deuteration Studies
A series of bridging ligands, dipyrido[2,3-a:3‘,2‘-c]phenazine (ppb), dipyrido[2,3-a:3‘,2‘-c]-6,7-dichlorophenazine (ppbCl2), and dipyrido[2,3-a:3‘,2‘-c]-6,7-dimethylphenazine (ppbMe2), and their binu
NIAID Data Ecosystem30
Data on the structures and stability of doped gallium nanoclusters
This dataset consists of 2 Excel .xlsx file format spreadsheets and 25 data files in .log file format. All calculations of the doped gallium clusters were performed at the PBE0 / 6-311G(d) level using
Figshare2019-12-16 更新30
