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关键词 ADSORPTION（2）
出版物 JOURNAL OF COMPUTATIONAL CHEMISTRY（2）
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Benchmarking Dispersion and Geometrical Counterpoise Corrections for Cost-Effective Large-Scale DFT Calculations of Water Adsorption on Graphene

JOURNAL OF COMPUTATIONAL CHEMISTRY

LORENZ M, CIVALLERI B, MASCHIO L, SGROI M, PULLINI D

Benchmark calculations of the adsorption of aromatic molecules on graphene

JOURNAL OF COMPUTATIONAL CHEMISTRY

WANG WZ, SUN T, ZHANG Y, WANG YB