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Gaussian Calculation
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创建时间：
2017-08-01
相关数据集
Calcium clusters optimized structures.
Structures of clusters (CaSO 4 ) n for n = 2 - 7 , optimized at the ωB97X-V/def2-TZVP level of theory.
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3aa, 5-phenyl-1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,3-triazole
NMR data for compound 3aa
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Calculation of wave-functions and collision matrix elements for one-electron diatomic molecules
Title of program: MEDOC Catalogue Id: ACXY_v1_0 Nature of problem Determination of the norm of the wave-functions and of radial and rotational coupling matrix elements between the states of one
Mendeley Data10
Pub1-PRE experimental data.zip
Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
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Sample simulation files for "Thermophysical Properties and Phase Behavior of CO2 with Impurities: Insight from Molecular Simulations".
Sample simulation files for "Thermophysical Properties and Phase Behavior of CO2 with Impurities: Insight from Molecular Simulations". Please read the README files in each folder for more information,
4TU.ResearchData2024-08-15 更新20
