Introduction to Molecular Design

Author: Yu Qingsen, Zhu Longguan (editors)
Publisher:
Publish Date: 2000-07-01
Features: This book is a research outcome of the Ministry of Education's "Reform Plan for Teaching Content and Curriculum Systems in Higher Education Towards the 21st Century" and is a textbook for the 21st-century curriculum. It systematically introduces the fundamental principles, methods, and application areas of molecular design. The book consists of 11 chapters, covering topics such as: quantum chemical ab initio calculation methods and semi-empirical calculation methods, conformational analysis, database classification, parameters in molecular design, modeling methods in molecular design, molecular graphics, drug molecular design, protein molecular design, catalyst molecular design, polymer molecular design, etc. Each chapter includes approximately 20 references. This book is suitable for undergraduate and graduate students in chemistry, applied chemistry, pharmaceutical chemistry, materials science, polymer chemistry, biochemistry, and related fields as a textbook or reference. It can also be used by researchers engaged in molecular design research.