10967/205 - QDB Compounds

QsarDB Repository

Käärik, M.; Maran, U.; Arulepp, M.; Perkson, A.; Leis, J. Quantitative nano-structure-property relationships for the nanoporous carbon: Predicting the performance of energy storage materials. ACS Appl. Energy Mater. 2018, 1, 4016-4024

Compound

ID:76
Name:CDC_Mo7s/5
Description:
Labels:
CAS:
InChi Code:

Properties

Cv_pos: Volumetric anodic capacitance [F cm-3]

ValueSource or prediction
64.5

experimental value

63.5446

Tab1-2: Two-parameter model for volumetric anodic capacitance (SetA) (Training set)

Cv_neg: Volumetric cathodic capacitance [F cm-3]

ValueSource or prediction
60.9

experimental value

59.9208

Tab1-8: Two-parameter model for volumetric cathodic capacitance (SetA) (Training set)

59.6711

Tab2: Three-parameter model for volumetric cathodic capacitance - main model (SetA) (Training set)

59.5302

SetB: Three-parameter model to verify influence of impurities from TiO2 derivatives (SetB) (Training set)

59.1219

Tab3: Three-parameter model to verify influence of H2O-activation of nanopores (SetC) (Validation set)