Computational approaches for the prediction of pKa values

• Tác giả: Paul G Seybold, George C Shields
• Ngôn ngữ: eng
• ISBN-10: 1466508787
• ISBN-13: 978-1466508781
• Ký hiệu phân loại: 546.24 Acids
• Mô tả vật lý: xx, 155 pages ; , 24 cm.
• Bộ sưu tập: Khoa học tự nhiên
• ID: 284141
• Chủ đề: 1. Acids--Basicity; 2. Chemistry, Physical and theoretical; 3. Dissociation

Includes bibliographical references and index.

Tóm tắt

"The book describes how one can calculate the acidities and basicities of chemicals (pKa is the dissociation constant). Many drugs, industrial chemicals, biochemicals and pollutants dissociate to form new species under different conditions. The nature of the species present has a profound effect on how the species act, and it is important to be able to estimate which species will be present under different conditions. No other book summarizes how one can estimate the natures of the species present using modern theoretical methods. This book fills that need"-- Provided by publisher.