国家/地区 China（4） India（4） Brazil（2） Iran（2）
关键词 TDDFT（17）
出版物 COMPUTATIONAL THEOR.（2）
出版时间 2020（4） 2018（3） 2019（3） 2021（3） 2022（2）
机构 CITY UNIV HO.（2）
作者 CHEN SW（2） ULLAH N（2） ZHANG RQ（2）

Thermoelectric and optical properties of the SrS graphene by DFT

PHILOSOPHICAL MAGAZINE

YARI A, BOOCHANI A, REZAEE S

Behavior of anchor functionalized ZnPc molecules on a graphene nanoflake near membrane cell

STRUCTURAL CHEMISTRY

PICAUD F, DUVERGER E, STAUFFER L, SONNET P

Probing the Interaction of Nucleobases and Fluorophore-Tagged Nucleobases with Graphene Surface: Adsorption and Fluorescence Studies

CHEMISTRYSELECT

BHAI S, GANGULY B

Engineering the excited state of graphitic carbon nitride nanostructures by covalently bonding with graphene quantum dots

THEORETICAL CHEMISTRY ACCOUNTS

CHEN SW, ULLAH N, ZHANG RQ

Nonradiative Excited-State Decay via Conical Intersection in Graphene Nanostructures

CHEMPHYSCHEM

CHEN SW, ULLAH N, ZHAO YL, ZHANG RQ

Effects of lithium impurities on electronic and optical properties of graphene nanoflakes: A DFT-TDDFT study

CHINESE JOURNAL OF PHYSICS

AJEEL FN, MOHAMMED MH, KHUDHAIR AM

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

Time-Dependent Density Functional Theory Analysis of Triphenylamine-Functionalized Graphene Doped with Transition Metals for Photocatalytic Hydrogen Production

JOURNAL OF NANOSCIENCE NANOTECHNOLOGY

MOTA EAV, NETO AFG, MARQUES FC, MOTA GVS, MARTINS MG, COSTA FLP, BORGES RS, NETO AMJC

Tunable Localized Surface Plasmon Resonances in a New Graphene-Like Si2BN's Nanostructures

PLASMONICS

YUAN SJ, ZHANG H, CHENG XL

Adsorption properties of graphene towards the ephedrine - A frequently used molecule in sport

COMPUTATIONAL THEORETICAL CHEMISTRY

ARMAKOVIC S, ARMAKOVIC SJ, TOMIC BT, PILLAI RR, PANICKER CY