A DENSITY FUNCTIONAL THEORY STUDY ON STRUCTURE AND PROPERTIES OF BENZENE AND BORAZINE-BASED CHROMOPHORES
Density functional theory (DFT) calculations were employed to investigate the structural characteristics, electronic properties, and nonlinear optical properties of borazine-based chromophores at B3LYP/ 6-311G(d,p) level. We studied the effects of various donor and acceptor substituents (H, F, Cl, B...
Guardado en:
Autores principales: | , |
---|---|
Lenguaje: | English |
Publicado: |
Sociedad Chilena de Química
2014
|
Materias: | |
Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072014000400008 |
Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Sea el primero en dejar un comentario!