国家/地区 India（13）
关键词 ADSORPTION（5） DFT（5） GRAPHENE（5）
DOPING（3） BORON NITRIDE（2） DENSITY FUNCTIONAL .（2）
出版物 COMPUTATIONAL THEORETICAL CHEMISTRY（13）
出版时间 2018（4） 2022（4） 2019（2）
机构 ARYA VIDYAPE.（2）
作者 BHATTACHARYY.（2） DINDORKAR SS（2） SAHA B（2） YADAV A（2）

How much aromatic are naphthalene and graphene?

COMPUTATIONAL THEORETICAL CHEMISTRY

DIXIT VA, SINGH YY

Anion center dot center dot center dot pi interaction in oxoanion-graphene complex using coronene as model system: A DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

SAHA B, BHATTACHARYYA PK

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

COMPUTATIONAL THEORETICAL CHEMISTRY

MANDEEP, SHARMA L, KAKKAR R

Effect of side chain edge functionalization in pristine and defected graphene-DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

ANITHAA VS, VIJAYAKUMAR S

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

Adsorption of amino acids on boron and/or nitrogen doped functionalized graphene: A Density Functional Study

COMPUTATIONAL THEORETICAL CHEMISTRY

SAHA B, BHATTACHARYYA PK

Graph entropies of porous graphene using topological indices

COMPUTATIONAL THEORETICAL CHEMISTRY

SHANMUKHA MC, USHA A, BASAVARAJAPPA NS, SHILPA KC

Simultaneous interaction of graphene nanoflakes with cations and anions: A cooperativity study

COMPUTATIONAL THEORETICAL CHEMISTRY

MAIYELVAGANAN KR, PRAKASH M, RAVVA MK

Boron doped graphene as anode material for Mg ion battery: A DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

RIYAZ M, GARG S, KAUR N, GOEL N