国家/地区 Mexico（7）
关键词 GRAPHENE（3） ADSORPTION（2） DFT（2）
ELECTRON AFFINITY（2） HAECKELITE（2）
出版物 COMPUTATIONAL THEORETICAL CHEMISTRY（7）
出版时间 2022（3）
机构 UNIV NACL AU.（2）
作者 DE LA CRUZ M.（2） DE LA GARZA .（2） FOMINE S（2） GARCIADIAZ R（2）
GUERREROSANC.（2） OLMEDO EM（2）

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

Chiral penta-graphene nanotubes: Structure, bonding and electronic properties

COMPUTATIONAL THEORETICAL CHEMISTRY

QUIJANOBRIONES JJ, FERNANDEZESCAMILLA HN, TLAHUICEFLORES A

Adsorption of glyphosate on graphene and functionalized graphenes: A DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

MOJICASANCHEZ JP, LANGARICARIVERA VM, PINEDAURBINA K, NOCHEBUENA J, JAYAPRAKASH GK, SANDOVAL ZG

Adsorption of acetic acid and benzoic acid on pristine and defect containing graphene: A DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

ESCARENO AA, PAEZORNELAS JI, GUERREROSANCHEZ J, SAENZGALINDO A, GARCIADIAZ R, GALLARDOVEGA C, OCHOAVALIENTE R, DE LA CRUZ MTR

Efficient NO2 removal induced by transition-metal doped and co-doped graphene: An ab-initio study

COMPUTATIONAL THEORETICAL CHEMISTRY

CAMARILLOSALAZAR E, GARCIADIAZ R, AVILAALVARADO Y, GUERREROSANCHEZ J, COCOLETZI GH, DE LA CRUZ MTR

Effect of structural defects in graphene on the geometry and electronic properties of adsorbed lanthanide bisphthalocyanines: A DFT analysis

COMPUTATIONAL THEORETICAL CHEMISTRY

MENDOZADOMINGUEZ CU, BOLIVARPINEDA LM, BASIUK VA