国家/地区 Italy（3）
关键词
出版物 JOURNAL OF COMPUTATIONAL CHEMISTRY（3）
出版时间 2018（2）
机构
作者

B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations

JOURNAL OF COMPUTATIONAL CHEMISTRY

RICCA C, LABAT F, ZAVALA C, RUSSO N, ADAMO C, MERINO G, SICILIA E

Polygonal current models for polycyclic aromatic hydrocarbons and graphene sheets of various shapes

JOURNAL OF COMPUTATIONAL CHEMISTRY

PELLONI S, LAZZERETTI P

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