Name: Density Functional Calculations: Recent Progresses of Theory and Application (en Inglés)
Price: 588.69 PEN
Availability: InStock
Author: Yang, Gang
ISBN: 9781789231328

portada Density Functional Calculations: Recent Progresses of Theory and Application (en Inglés)

Formato

Libro Físico

Editorial

Intechopen

Autor

Yang, Gang

Idioma

Inglés

N° páginas

274

Encuadernación

Tapa Dura

Dimensiones

24.4 x 17.0 x 1.6 cm

Peso

0.64 kg.

ISBN13

9781789231328

Categorías

Química física

Density Functional Calculations: Recent Progresses of Theory and Application (en Inglés)

Yang, Gang (Autor) · Intechopen · Tapa Dura

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S/ 588,69

S/ 1.177,38

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Reseña del libro "Density Functional Calculations: Recent Progresses of Theory and Application (en Inglés)"

Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an increasingly larger role in a number of disciplines such as chemistry, physics, material, biology, and pharmacy. DFT has long been used to complement experimental investigations, while now it is also regarded as an indispensable and powerful tool for researchers of different fields. This book is divided into five sections that include original chapters written by experts in their fields: "Method Development and Validation," "Spectra and Thermodynamics," "Catalysis and Mechanism," "Material and Molecular Design," and "Multidisciplinary Integration." I would like to express my sincere gratitude to all contributors and recommend this book to both beginners and experienced researchers.