国家/地区 India（8）
关键词 DFT（8）
出版物 JOURNAL OF NANOPART.（2） STRUCTURAL CHEMISTR.（2）
出版时间 2020（4） 2021（2）
机构 UNIV DELHI（6）
作者 KAKKAR R（8）

A DFT-D2 study on the adsorption of phosgene derivatives and chloromethyl chloroformate on pristine and Fe-4-decorated graphene

JOURNAL OF MOLECULAR GRAPHICS MODELLING

JOGENDER, BADHANI B, MANDEEP, KAKKAR R

Recent Advances on Graphene-Based Gas Sensors

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A

JOGENDER, MANDEEP, KAKKAR R

A DFT-D2 study on Mo4-xCox(x=0-3) cluster-decorated graphene and the adsorption of SO2F2 and SOF2 on Mo-4-decorated graphene

JOURNAL OF NANOPARTICLE RESEARCH

JOGENDER, MANDEEP, KAKKAR R

DFT study of adsorption of glyphosate pesticide on Pt-Cu decorated pyridine-like nitrogen-doped graphene

JOURNAL OF NANOPARTICLE RESEARCH

MANDEEP, GULATI A, KAKKAR R

Adsorption of Bromonitromethane over Graphene-Based Substrates: A Density Functional Theory Analysis

CHEMISTRYSELECT

MANDEEP, SHARMA L, KAKKAR R

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

COMPUTATIONAL THEORETICAL CHEMISTRY

MANDEEP, SHARMA L, KAKKAR R

Decontamination of chloropicrin (PS) and its analogues using graphene and modified graphene surfaces: a computational study

STRUCTURAL CHEMISTRY

JOGENDER, KAKKAR R

DFT study of carbaryl pesticide adsorption on vacancy and nitrogen-doped graphene decorated with platinum clusters

STRUCTURAL CHEMISTRY

MANDEEP, GULATI A, JOGENDER, KAKKAR R