DFT Based Studies on Bioactive Molecules - Neeraj Misra - Livros - Bentham Science Publishers - 9789814998383 - 13 de agosto de 2021
Caso a capa e o título não sejam correspondentes, considere o título como correto

DFT Based Studies on Bioactive Molecules

Neeraj Misra

Preço
A$ 148,92

Item sob encomenda (no estoque do fornecedor)

Data prevista de entrega 20 de jun - 1 de jul
Adicione à sua lista de desejos do iMusic

DFT Based Studies on Bioactive Molecules

This book is a guide for researchers, academics and experimentalists who wish to explore density functional theory (DFT) on selected molecular systems. The salient features of the book include concise and complete coverage of DFT on biologically active molecules, a basic guide to DFT for beginners followed by its computational application using a powerful Gaussian program. Subsequently, discussions on synthetic compounds, amino acids, and natural products have been offered by the authors for the benefit of the reader. The book also features an exclusive chapter on the quantum theory of atoms in molecules and is supplemented by an appendix on the Gaussian output for methane.
Key Features:
- basic introduction of density functional theory
- practical introduction to Gaussian program
- interpretation of input and output files
- explanation of calculated parameters
- examples of several bioactive molecules (syenthetic and natural)
- correlation between theory and experiments
- exploration of the hydrogen bonds
- appendix covering Gaussian outputs for methane
- beginner friendly text
- references at the end of each chapter
DFT Based Studies on Bioactive Molecules is a suitable handbook for academics, students and researchers who are learning the basic biophysics and computational chemistry of bioactive molecules with reference to DFT models.

Mídia Livros     Paperback Book   (Livro de capa flexível e brochura)
Lançado 13 de agosto de 2021
ISBN13 9789814998383
Editoras Bentham Science Publishers
Páginas 216
Dimensões 178 × 254 × 14 mm   ·   526 g
Idioma English  

Ver tudo de Neeraj Misra ( por exemplo Paperback Book )