Computational Chemistry is the branch of theoretical chemistry whose major goals are to create efficient computer programs that calculate the properties of molecules (such as total energy, dipole moment, vibrational frequencies) and to apply these programs to concrete chemical objects. It is also sometimes used to cover the areas of overlap between computer science and chemistry. The present volume gives readers the tools they need to translate theoretical principles into real computational problems then, proceed to a computed solution. Students of computational chemistry, as well as professionals interested in updating their skills in this fast-moving field will find this book to be an invaluable resource.
ABOUT THE AUTHOR Vibha Tandon
Dr. Vibha Tandon is a Research Scientist. Her major research areas deal with oxidation of sulphides and DNA binding studies. Besides, she has teaching and administrative experience as well. She has won quite a few scholarships and fellowships. She has authored a number of publications and is a regular invitee to conferences and seminars, both in India and abroad. At present she is working as Research Scientist (Lecturer) at Dr. B.R. Ambedkar Center for Biomedical Research, University of Delhi, Delhi. She worked as principal investigator for two projects funded by the Department of Science and Technology, Govt. of India and ICMR. She has also worked on a Biomedical Research program aided by HIKMA Pharmaceuticals, Jordan and also working on a project sponsored by Polaroid Corporation, USA. She has contributed research papers in National and International Journals.
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