Assunto em inglês
DFT
3
B3LYP
2
PM6
2
density functional theory
2
hybrid functional
2
semiconductor
2
1,8-naphthalimide
1
ABO3
1
BaTiO3
1
DCN-PPV
1
Indigo
1
Infrared spectroscopy
1
NMR and IR
1
Organic Semiconductors
1
Organic Solar Cell
1
PM7
1
Perosvkite
1
Perovskite
1
RM1
1
Rietveld
1
Stark effect
1
TDDFT, PEDOT, Charge transport.
1
Wurtzite
1
X-ray difraction
1
ZnO
1
ceramic
1
ceramics oxide
1
computational chemistry
1
computational modeling
1
conformational analysis
1
dipole-dipole coupling
1
doping
1
electrochemical interfaces
1
eletric double layer
1
ethyl-2-hydroxycyclohexanecarboxylate
1
heterostructure
1
maximum entropy method
1
optical
1
p-n heterojunction
1
simulation
1
strontium stannate
1
strontium titanate
1
theoretical
1
theoretical calculations
1
titanate-strontium stannate
1
zircon
1