国家/地区
关键词 DFT（3）
出版物 STRUCTURAL CHEMISTRY（4）
出版时间 2023（4）
机构
作者

First-principles study of nitrogen-doped porous graphene for Na+, K+, Mg2+, and Ca2+ cations adsorption

STRUCTURAL CHEMISTRY

ZERAATIMOGHANI M

Exploring the adsorption performance of doped graphene quantum dots as anticancer drug carriers for cisplatin by DFT, PCM, and COSMO approaches

STRUCTURAL CHEMISTRY

MUNNY KN, AHMED T, PIYA AA, SHAMIM SUD

Cluster formation between an oxadiazole derivative with metal nanoclusters (Ag/Au/Cu), graphene quantum dot sheets, SERS studies, and solvent effects

STRUCTURAL CHEMISTRY

ALOTAIBI JS, MARY YS, MARY YS, TRIVEDI R, CHAKRABORY B, THOMAS R

Graphene oxide and flavonoids as potential inhibitors of the spike protein of SARS-CoV-2 variants and interaction between ligands: a parallel study of molecular docking and DFT

STRUCTURAL CHEMISTRY

SCHULTZ JV, TONEL MZ, MARTINS MO, FAGAN SB