国家/地区 Iran（5） China（3） India（2）
关键词 DFT（19）
出版物 COMPUTATIONAL THEOR.（2）
出版时间 2013（19）
机构 ISLAMIC AZAD.（4）
作者 KRASHENINNIK.（2） NOEI M（2） PEYGHAN AA（2）

DFT Study of Xenon Complexes Adsorption on Graphene and Metal Embedded Graphene

ASIAN JOURNAL OF CHEMISTRY

HUANG B, YUAN DZ, CHEN BB

Multiscale modeling of screening effects on conductivity of graphene in weakly bonded graphene-dielectric heterostructures

JOURNAL OF COMPUTATIONAL ELECTRONICS

KHARCHE N, BOYKIN TB, NAYAK SK

DFT studies of Si- and Al-doping effects on the acetone sensing properties of BC3 graphene

MOLECULAR PHYSICS

MORADI M, NOEI M, PEYGHAN AA

Computational study of ammonia adsorption on the perfect and rippled graphene sheet

PHYSICA BCONDENSED MATTER

SEYEDTALEBI SM, BEHESHTIAN J

Theoretical Investigation of CO2 Adsorption on Graphene

BULLETIN OF THE KOREAN CHEMICAL SOCIETY

LEE KJ, KIM SJ

Density functional theory calculations on the adsorption of formaldehyde and other harmful gases on pure, Ti-doped, or N-doped graphene sheets

APPLIED SURFACE SCIENCE

ZHANG HP, LUO XG, LIN XY, LU X, LENG Y, SONG HT

A computational investigation of B-11 and N-15 chemical shielding tensors as well as local aromaticity based on NICS characterization in the N/B doped triangular graphene quantum dots

SUPERLATTICES MICROSTRUCTURES

ANAFCHEH M, GHAFOURI R

Si-decorated graphene: a superior media for lithium-ions storage

STRUCTURAL CHEMISTRY

SHARIFI N, ARDJMAND M, AHANGARI MG, GANJI MD

Oxidation of Pd-n (n=1-5) clusters on single vacancy graphene: A first-principles study

COMPUTATIONAL THEORETICAL CHEMISTRY

JIA TT, LU CH, DING KN, ZHANG YF, CHEN WK

Ab initio study on the noncovalent adsorption of camptothecin anticancer drug onto graphene, defect modified graphene and graphene oxide

JOURNAL OF COMPUTERAIDED MOLECULAR DESIGN

SAIKIA N, DEKA RC