国家/地区 Mexico（8）
关键词 DFT（4） HAECKELITE（3） COMPLETE ACTIVE SPA.（2）
ELECTRON AFFINITY（2）
出版物 COMPUTATIONAL THEOR.（2） MOLECULAR SIMULATIO.（2）
出版时间 2016（2） 2019（2）
机构 UNIV NACL AU.（8）
作者 FOMINE S（8）

The electronic structure of van der Waals heterostructures formed by the nanoflakes of black phosphorene with those of graphene and haeckelites: their complexes with Li

JOURNAL OF MOLECULAR MODELING

NARVAEZ WEV, RODRIGUEZ LDS, DE LA GARZA CGV, FOMINA L, FOMINE S

Graphene Nanobelts, Mobius and Higher Order Mobius Strips Formed from Graphene. A Combined CASSCF/DFT Study

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A

OLMEDO EM, FOMINE S

Electronic structure of boron and nitrogen doped isomeric graphene nanoflakes

COMPUTATIONAL THEORETICAL CHEMISTRY

DE LA GARZA CGV, OLMEDO EM, FOMINE S

Electronic structure of isomeric graphene nanoflakes

COMPUTATIONAL THEORETICAL CHEMISTRY

DE LA GARZA CGV, GARCIA GL, OLMEDO EM, PENA ER, FOMINE S

Complexes of graphene nanoribbons with porphyrins and metal-encapsulated C28 as molecular rectifiers: a theoretical study

MOLECULAR SIMULATION

MONTIEL F, MIRALRIO A, SANSORES LE, FOMINE S

Electronic structure of boron-doped finite graphene sheets: unrestricted DFT and complete active space calculations

MOLECULAR SIMULATION

TORRES AE, FLORES R, FOMINA L, FOMINE S

Substituent effect on the spin state of the graphene nanoflakes

RSC ADVANCES

FLORES R, TORRES AE, FOMINE S

Electronic structure of graphene nanoribbons doped with nitrogen atoms: a theoretical insight

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

TORRES AE, FOMINE S