国家/地区
关键词 DFT（6）
出版物 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY（6）
出版时间
机构
作者 DENIS PA（2）

The density functional theory study of 2D nonmetallic catalyst defective graphene for acetylene hydration

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

LI JQ, KANG LH

Adsorption and diffusion of alkali-atoms (Li, Na, and K) on BeN dual doped graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

ULLAH S, DENIS PA, SATO F

The 1,3 Dipolar Cycloaddition of Azomethine Ylides to Graphene, Single Wall Carbon Nanotubes, and C60

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

DENIS PA, IRIBARNE F

Tuning of the electronic properties of H-passivated armchair graphene nanoribbons by mild border oxidation: Theoretical study on periodic models

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

GHIGO G, MARANZANA A, TONACHINI G

Application of Si-doped graphene as a metal-free catalyst for decomposition of formic acid: A theoretical study

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

ESRAFILI MD, NURAZAR R, VESSALLY E

Density functional theory study of graphene adhesion on WX2 (X = S and Se) monolayer: Role of atom vacancy and atomic reorganization defects

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

SANGOLKAR AA, POOJA, FAIZAN M, AGRAWAL R, PAWAR R