This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume high

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A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry pro

The editors of this volume have compiled an important book that is a useful vehicle for important computational research - in the development of theoretical met

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. F