The Application of Quantum Mechanics in Reactivity of Molecules

• Tác giả: Sérgio F Sousa
• Ngôn ngữ: eng
• ISBN-13: 978-3036506586
• Thông tin xuất bản: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute 2021
• Mô tả vật lý: 1 electronic resource (182 p.)
• Bộ sưu tập: Tài liệu truy cập mở
• ID: 235363
• Chủ đề: 1. Research & information: general

Tóm tắt

Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has promoted the widespread penetration of quantum mechanics calculations into a variety of fields targeting the reactivity of molecules. This book presents a selection of original research papers and review articles illustrating diverse applications of quantum mechanics in the study of problems involving molecules and their reactivity.