Just like the molecules have degrees of freedom to exhibit their nature so was the freedom Dr K. Subramani, bestowed on me. In the endeavour for excellence in research he gave me the liberty to choose the methods, select the systems, incorporate the methodologies, indulge in symposiums, publish the thoughts and drive the points. His encouragement was there at each step of iteration of study. I am obliged to him.
I wish to place my sincere thanks to the VME Society for the support I got and I am grateful to our Secretary and Correspondent, Mr. C Khaiser Ahmed, an academic visionary, for his timely help in providing the facilities required for quality research including a powerful server and softwares for computational works. I am thankful to our Principal, Prof. P Nasrullah Basha, for constantly encouraging me to complete this work at the earliest possible time. More words of thanks are there for Dr. Major Syed Shahabuddeen, former Principal, who often asked me to give more attention to research work.
My gratitude of thanks resumes in the same magnitude to some stalwarts in the field of computational chemistry. First it was Dr. J Chandrasekhar, formerly at IISc., Bangalore, who inspired and guided me through e-mails on ab-initio methods. Then it was Dr. Narahari Sastry, Scientist at IICT, Hyderabad, who helped me with quite valuable suggestions after I met him at a Refresher course there. This was followed by some vital suggestions from Dr. V Subramanian, Scientist, CLRI, Chennai, who advised me to do work on molecular descriptors. Finally it was Dr. Padma Malar at the CUFP, University of Madras, Chennai, who pointed me to the scenario required in the field of theoretical chemistry. Perhaps the most significant part of the work was when I had to pass through ab-initio software calculations. If there was no help from Dr. J Jeba Kumar, professor at NGA College, Chennai, then I would not have achieved all that I have done. His patience with my frequent problems through GAMESS is unforgettable and I am obliged to him and all other scientists for their help.
I am indebted to Prof. V Rahmatullah at the English department for his constant encouragement and inquiry into my work. He has been responsible for the evaluation of my work grammatically. I am obliged to Prof. V M Nazeer and Dr. K Prem Nazeer, Vice-principals, who helped me in this regard. Some of the doubts related to technical and vital aspects of property-activity calculations were cleared by V Nadeem Ahmed, a doctoral fellow at Clemson University, USA. I am thankful to him for this. I sincerely thank Dr. S Nagarajan and T Hemalatha, Annamalai University, Chidambaram, for their kind cooperation.
I also thank Dr. S Shafi, HOD of Chemistry, Dr. Mansur and Dr. Raja Md. Kamil for their support throughout the work. I must thank some of my colleagues who scrutinized my work. They include Prof. K Ramu, Dr. Liyakath Ali, and Profs. Khader Nawaz, Anandaratchagan, Nawaz Alam, Dr. A Siddique, Showkath, Nazim and Jafar.
Believing in how I got everything to work I must thank all the contributors to the Internet, without which I would have remained blank. My ‘Google-full’ thanks to this virtual but powerful world.
This thesis would not have been possible without the goodwill and blessings of my parents. I dedicate this work to them. I am thankful to my sister and brothers: Irfan for providing me the PC when it was not affordable, Salman for consolidating my work and Haseeb for compiling many programmes related to research and providing a vital book on the subject. My wife, Jabin, was a tower of strength who tolerated my long hours in front of the PC and took care of our children Jasim and Jacya, who also did favour to me by avoiding the PC for playing games!
Ultimately, as I consider this work as an initiative to discovering the hidden Energy and Intelligence in this world, I profoundly thank my Creator.
MOHAMED IMRAN P K