Monitoring Organic Synthesis <em>via</em> Density Functional Theory

A preliminary molecular structure for a system, which may or may not be known, is the first step in a typical investigation using ab initio techniques. A stable system is generated by a geometry search using an energy minimization method (usually a local minimum or transition state). Subsequently, i...

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Detalles Bibliográficos

Autor principal:	Nordin, Nurdiana
Formato:	Capítulo de libro
Lenguaje:	inglés
Publicado:	IntechOpen 2023
Materias:	Physical Sciences, Engineering and Technology
Acceso en línea:	https://www.intechopen.com/chapters/87623
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!