Assunto em inglês
DFT
18
Electronic structure
4
Photocatalysis
4
Photophysical properties
4
B3LYP
3
Renewable energy
3
density functional theory
3
ASEC
2
Doping
2
Elastic constants
2
Electronic
2
Functional optimization
2
GaN
2
Germanane
2
Germanene
2
Graphene
2
Hirshfeld
2
Homology modeling
2
Lamé coefficients
2
Methylmercury
2
Molecular aggregates
2
Molecular docking
2
Molecular electronic
2
Morphology
2
Nanoscience
2
Nanostructures
2
Nanotechnology
2
Nanotubes
2
Nonlinear optics
2
Peptoids
2
Physicochemical
2
Poisson ratio
2
Pseudopotencial
2
Q-Band
2
Quantum chemistry
2
Quinolinone
2
Redox potentials
2
Selenoproteins
2
Silicane
2
Silicene
2
Solvent
2
Stress-strain
2
Tetrapyrrol
2
Tetrapyrrolic macrocycles
2
UV-Vis absorption
2
Ultraviolet
2
Wulff construction
2
Young modulus
2
hybrid functional
2
semiconductor
2
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