国家/地区 India（6）
关键词 DFT（6）
出版物 APPLIED SURFACE SCI.（2）
出版时间 2018（6）
机构 SRM INST SCI.（2）
作者 JANANI K（2） THAPA R（2） THIRUVADIGAL.（2）

DFT study on the adsorption of p-nitrophenol over vacancy and Pt-doped graphene sheets

COMPUTATIONAL THEORETICAL CHEMISTRY

MANDEEP, SHARMA L, KAKKAR R

Origin of spin polarization in an edge boron doped zigzag graphene nanoribbon: a potential spin filter

NANOTECHNOLOGY

CHAKRABARTY S, WASEY AHMA, THAPA R, DAS GP

Density functional study on covalent functionalization of zigzag graphene nanoribbon through L-Phenylalanine and boron doping: Effective nanocarriers in drug delivery applications

APPLIED SURFACE SCIENCE

JANANI K, THIRUVADIGAL DJ

Adsorption of essential minerals on L-glutamine functionalized zigzag graphene nanoribbon-A first principles DFT study

APPLIED SURFACE SCIENCE

JANANI K, THIRUVADIGAL DJ

Structural and Electronic Descriptors of Catalytic Activity of Graphene-Based Materials: First-Principles Theoretical Analysis

SMALL

SINTHIKA S, WAGHMARE UV, THAPA R

Dispersion corrected density functional study of CO oxidation on pristine/functionalized/doped graphene surfaces in aqueous phase

JOURNAL OF MOLECULAR GRAPHICS MODELLING

RIYAZ M, YADAV S, GOEL N