文档介绍：K. I. Ramachandran · G. Deepa · K. Namboori
Computational Chemistry
and Molecular Modeling
Principles and Applications
123
Dr. K. I. Ramachandran
Dr. G. Deepa
K. Namboori
Amrita Vishwa Vidyapeetham University
Computational Engineering working
641 105 Ettimadai
Coimbatore
India
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ISBN-13 978-3-540-77302-3 e-ISBN-13 978-3-540-77304-7
DOI -3-540-77304-7
© 2008 Springer-Verlag Berlin Heidelberg
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Dedicated to the lotus feet of
Our Beloved Sadguru and Divine Mother
Sri MATA AMRITANANDAMAYI DEVI
Preface
Computational chemistry and molecular modeling is a fast emerging area which is
used for the modeling and simulation of small chemical and biological systems in
order to understand and predict their behavior at the molecular level. It has a wide
range of applications in various disciplines of engineering sciences, such as mate