国家/地区 India（7）
关键词 DENSITY FUNCTIONAL THEORY（7）
出版物 COMPUTATIONAL THEOR.（2）
出版时间 2018（7）
机构
作者 KUMAR S（2） SHARMA H（2）

The spin filtering effect and negative differential behavior of the graphene-pentalene-graphene molecular junction: a theoretical analysis

JOURNAL OF MOLECULAR MODELING

BHATTACHARYA B, MONDAL R, SARKAR U

Adsorption of gas molecules on ultra-thin pristine and doped graphene nanoribbons

MATERIALS RESEARCH EXPRESS

KUMAR S, MALHOTRA M, SHARMA H

The origin of diverse lattice dynamics in the graphene family

JOURNAL OF PHYSICSCONDENSED MATTER

BHATTACHARYA A, RAGHUVANSI PR, DAS GP

Binding of phenolic model compounds with noble metal doped graphene sheets

COMPUTATIONAL THEORETICAL CHEMISTRY

VERMA AM, AGRAWAL K, KISHORE N

Effect of dopants and defect in graphene nanoribbons on dehydrogenation of MXH4, where M = Na, Li and X = Al, B

COMPUTATIONAL THEORETICAL CHEMISTRY

MEENAKSHI, KUMAR S, JEET K, SHARMA H

Removal of fluoroquinolone from aqueous solution using graphene oxide: experimental and computational elucidation

ENVIRONMENTAL SCIENCE POLLUTION RESEARCH

YADAV S, GOEL N, KUMAR V, TIKOO K, SINGHAL S

MOLECULAR STRUCTURE, NBO AND HOMO-LUMO ANALYSIS OF QUERCETIN ON SINGLE LAYER GRAPHENE BY DENSITY FUNCTIONAL THEORY

DIGEST JOURNAL OF NANOMATERIALS BIOSTRUCTURES

SARANYA M, AYYAPPAN S, NITHYA R, SANGEETHA RK, GOKILA A