国家/地区 Mexico（5）
关键词 DFT（5）
出版物 JOURNAL OF MOLECULA.（2） MOLECULAR SIMULATIO.（2）
出版时间 2019（2）
机构 UNIV NACL AUTONOMA MEXICO（5）
作者 FOMINE S（4） FOMINA L（2）

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

DFT study of CO adsorption on nitrogen/boron doped-graphene for sensor applications

JOURNAL OF MOLECULAR MODELING

VELAZQUEZLOPEZ LF, PACHECOORTIN SM, MEJIAOLVERA R, AGACINOVALDES E

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