Quantum-Chemical Calculation of Unique Molecular Systems

The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations—the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.

Vladimir Aleksandrovich Babkin, DSc is Professor and Head of the Research Department at Volgograd State University of Architecture and Engineering, Sebryakovsky Branch in Volgograd, Russia. Professor Babkin graduated from Bashkir State University in 1976 (Ufa, Russia)as a physicist, specializing in the field of applied quantum chemistry. He is the author of more than 1,200 scientific papers (including 14 monographs.)

Gennady E. Zaikov, DSc, is Head of the Polymer Division at the N. M. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russia, and professor at Moscow State Academy of Fine Chemical Technology, Russia, as well as professor at Kazan National Research Technological University, Kazan, Russia. He is also a prolific author, researcher, and lecturer. He has received several awards for his work, including the the Russian Federation Scholarship for Outstanding Scientists. He has been a member of many professional organizations and on the editorial boards of many international science journals.

A. K. Haghi, PhD, holds a BSc in urban and environmental engineering from University of North Carolina (USA); a MSc in mechanical engineering from North Carolina A&T State University (USA); a DEA in applied mechanics, acoustics and materials from Universite de Technologie de Compiegne (France); and a PhD in engineering sciences from Universite de Franche-Comte (France). He is the author and editor of 65 books as well as 1000 published papers in various journals and conference proceedings. Dr. Haghi has received several grants, consulted for a number of major corporations, and is a frequent speaker to national and international audiences. Since 1983, he served as a professor at several universities. He is currently Editor-in-Chief of the International Journal of Chemoinformatics and Chemical Engineering and Polymers Research Journal and on the editorial boards of many international journals. He is also a faculty member of University of Guilan (Iran) and a member of the Canadian Research and Development Center of Sciences and Cultures (CRDCSC), Montreal, Quebec, Canada.