数据链接：
官方服务：
资源简介：
Gaussian 16 (C01) calculation
应用场景：
创建时间：
2023-08-12
相关数据集
Hessian QM9 Dataset
Overview Hessian QM9 is the first database of equilibrium configurations and numerical Hessian matrices, consisting of 41,645 molecules from the QM9 dataset at the $\omega$B97x/6-
DataCite Commons2024-12-12 更新310
Trimerization Products of Trifluoroacetone: Critical Solvent Effect on Position and Kinetics of Anomeric Equilibria
In the presence of bases, trifluoroacetone is known to trimerize leading to configurationally labile 6-methyl-2,4,6-tris(trifluoromethyl)tetrahydro-2H-pyran-2,4-diols 1a,b and 2a,b, structurally close
NIAID Data Ecosystem40
The role of water in homogeneous catalytic processes mediated by water solubl...
A large number of chemicals are currently obtained by catalytic synthetic processes, but usually in most of these processes the catalyst remains in the reaction medium during...
B2FIND10
Raw data supporting: Augmenting the Performance of Hydrogenase for Aerobic Photocatalytic Hydrogen Evolution via Solvent Tuning
Raw experimental data supporting the article "Augmenting the Performance of Hydrogenase for Aerobic Photocatalytic Hydrogen Evolution via Solvent Tuning"
NIAID Data Ecosystem50
The crystal structure of subtilisin Carlsberg in anhydrous dioxane and its comparison with those in water and acetonitrile
The x-ray crystal structure of the serine protease subtilisin Carlsberg in anhydrous dioxane has been determined to 2.6-Å resolution. The enzyme structure is found to be nearly indistinguishable from
PubMed Central1997-04-29 更新20
