Keyphrases
Generalized Gradient Approximation
100%
Thermochemistry
100%
Metal Sulfide
100%
Reaction Energy
44%
Anions
33%
U-value
33%
Energy Correction
22%
Desulfurization Reaction
22%
Mo6S8
22%
Sulfide System
22%
Energy Prediction
22%
Metal Ions
11%
Confidence Interval
11%
S-S Bond
11%
Metal Oxide
11%
Na-K
11%
Metal Halides
11%
Redox Activity
11%
FeCo
11%
Disulfide
11%
Oxidation State
11%
Mn-Fe
11%
Al-Ti
11%
Lace
11%
Sulfide Anion
11%
Nicu
11%
Pyrite
11%
Rh-Pd
11%
TiS2
11%
Cell Voltage
11%
Cu-Mo
11%
Mg-Ca
11%
Zn-Al
11%
Battery System
11%
Anion-dependent
11%
Chemistry
Generalized Gradient Approximation
100%
Thermochemistry
100%
Metal Sulfides
100%
Sulfurization
22%
Sulfide
11%
Metal Oxide
11%
Halide
11%
Disulfide
11%
Metal Ion
11%