国家/地区 Iran（2）
关键词 NICS（6）
出版物 COMPUTATIONAL THEOR.（2）
出版时间 2017（2）
机构
作者 ANAFCHEH M（2）

Formation of boron nitride islands in the graphene nanoflakes: A DFT study

MATERIALS CHEMISTRY PHYSICS

ANAFCHEH M, KHODAEI N, ZAHEDI M

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

Aromaticity of graphene nanoflakes in a new way: fragment analysis by combination of the nucleus-independent chemical shifts and the anisotropy of current induced density

JOURNAL OF MOLECULAR MODELING

LI Q, LI CM, XU HL, SU ZM

Functionalized Nano Graphene Platelets as Green Catalyst to Synthesize New and Known Benzoyl-1,4-diazanaphthalene and Study of Their Local Aromaticity

POLYCYCLIC AROMATIC COMPOUNDS

SHAHAMIRIAN M, KIANI S, TALAR AJ, KHODABAKHSHI S

Substituent effects in pi-stacking of histidine on functionalized-SWNT and graphene

COMPUTATIONAL THEORETICAL CHEMISTRY

TIAN G, LI HF, MA WY, WANG YX

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

COMPUTATIONAL THEORETICAL CHEMISTRY

MAIYELVAGANAN KR, PRAKASH M, RAVVA MK