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Palabras clave – provistas por la editorial

single nanowires; silicon; dual shells; off-resonance; absorption; photocurrent; magnetism; transition-metal oxide clusters; DFT calculations; structure; electronic properties; LGD theory; polarization; nanoscale ferroelectrics; kinetics; homogeneous switching; computer simulation; fitting; diphenylalanine; peptide nanotubes; self-assembly; water molecules; DFT; molecular modelling; semi-empirical methods; chirality; Ir-modified MoS2; decomposition components of SF6; adsorption and sensing; atomistic simulation; core–shell bi-magnetic nanoparticles; Monte Carlo simulation; interfacial exchange; terahertz; graphene; plasmons; Drude absorption; polarization conversion; yield surface; plastic flow; crystal plasticity; polycrystalline aluminum; dipeptides; helical structures; molecular modeling; dipole moments; tunnel junction; machine learning; III-nitride; hydroxyapatite; modeling; density functional theory; defects; vacancies; substitutions; structural and optical properties; band gap; electronic density of states; nanomaterials; plasmon-induced transparency; strontium titanate; slow light; iron doping; hydroxyapatite bioceramics; hybrid density functional; X-ray absorption spectroscopy; phenylalanine; protein secondary structure; optoelectronic devices; nanostructured polymer film; antireflection coating; finite-difference time-domain method; ferroelectrics; heterostructures; domains; negative capacitance