Bøger af Neeraj Misra

The aim of this novel work is to fill a gap that has appeared in the reversible computing, emerging domain of Futuristic Quantum Information Science. Themes in Quantum Information Science have been an emerging domain. This work targets the basic level void by terminology coverage of quantum circuit synthesis. Chapters introduce the synthesis approach of reversible adders, comparator, code converters, and median filter. This book then covers decomposition, mapping and optimization tools in quantum logic circuits. The flow of the work is organized to understand the synthesis of a quantum circuit that begins using quantum gates and then move into physical implementation on nano-computing technology.

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 chapterDFT 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.