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Título de Acceso Abierto

Computational Quantum Physics and Chemistry of Nanomaterials

Resumen/Descripción – provisto por la editorial

No disponible.

Palabras clave – provistas por la editorial

BTF; TATB; CL-20; cocrystal; energetic materials; shock sensitivity; large-scale ab initio molecular dynamics simulations; AlN; low-dimensional material; atomic cluster; electronic structure; HSE06 hybrid functional; CsPbBr3; CsPb2Br5; solvent polarity; CTAB; phase transition; high-entropy alloys; generalized stacking fault energy; first-principles; interfacial energy; surface energy; nanoparticles; gold; ab initio; molecular mechanics; fcc Ni; tilt Σ5(210) grain boundary; vacancy; Si and Al impurity; grain boundary energy; segregation energy; defects binding energies; magnetism; ferroelectricity; SnTe; nanoribbon; nanoflakes; critical size; density-functional theory; thermodynamics; silver; decahedron; excess energy; ab initio calculations; dye-sensitized solar cells; azobenzene; density functional theory; topological insulators; magnetic doping; defects; environment and health; first-principles physics; DFT; hazardous gas; n/a

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Información

Tipo de recurso:

libros

ISBN electrónico

978-3-0365-0135-2

País de edición

Suiza