My research field or area of interest innanotechnology
COMPUTATIONAL STUDY OF NANO-MATERIALS INVOKING DFT BASED DESCRIPTORS
NANOMATERIALS, DFT ,
• Computation of the dipole moments of some heteronuclear diatomic molecules in terms of the revised electronegativity scale of Gordy ; Dulal C. Ghosh*, Tanmoy Chakraborty ; Journal of Molecular Structure ,Theochem, volume-916,47-52.2009.
• The electronegativity scale of Allred and Rochow: revisited; Dulal C. Ghosh*, Tanmoy Chakraborty ; Bhabatosh Mandal ; Theoretical Chemistry Accounts , volume-124,295-301,2009.
• Gordy’s Electrostatic Scale of Electronegativity Revisited; Dulal C. Ghosh*, Tanmoy Chakraborty; Journal of Molecular Structure ,Theochem, volume-906,87-93.2009.
• The Wave Mechanical Evaluation of the Absolute Radii of Atoms
Dulal C Ghosh*, Raka Biswas, Tanmoy Chakraborty, Nazmul Islam, Sandip Kr Rajak Journal of Molecular Structure ,Theochem ,volume-865,60-67.2008.
• Quantum Mechanical Evaluation of Atomic Radii of 86 Elements of Periodic Table. Dulal C. Ghosh*, Tanmoy Chakraborty, Nazmul Islam, Raju Roy, &Sanjib Kr.Mondal.;Chemistry in North Bengal University, Annual Journal, Vol 1,page 103-107,2007.
• Computation of the Inter Nuclear Distances of Some Hetero nuclear Diatomic Molecules in terms of the Revised Electronegativity Scale of Gordy. Tanmoy Chakraborty, Dulal C. Ghosh*; European Physical Journal D, volume-59,183-192,2010.
• Computation of the Dipole Moment of Some Heteronuclear Diatomic Molecules in terms of Revised Electronegativity Scale of Allred and Rochow. Tanmoy Chakraborty, Dulal C. Ghosh*; European Journal Of Chemistry,volume-1(3),162-168,2010.
• Computation of the Atomic Radii through the Conjoint Action of the Effective Nuclear Charge and the Ionization Energy . Tanmoy Chakraborty, Kamarujjaman Gazi and Dulal C. Ghosh* ; Molecular Physics, volume-108,2081-2092, 2010.
• Correlation of the Drug Activities of Some Anti-Tubercular Chalcone derivatives in Terms of the Quantum Mechanical Reactivity Descriptors. Tanmoy Chakraborty, Dulal C. Ghosh* ; International Journal of Chemoinformatics & Chemical Engineering, USA. volume-1,issue-2,53-65, 2011.
• Correlation of the Drug Activities and Identification of the Reactive Sites in the Structure of Some Anti-Tubuculour Juglone derivatives in terms of the Molecular Orbital and the Density Functional Descriptors. Tanmoy Chakraborty, Dulal C. Ghosh* , International Journal of Chemical Modeling, USA, Voume-4,Issue-4. 413-440, 2012.
• Dynamics of Metal Distribution in Cultivated Soil and Vegetables in Vicinity to Industrial Deposition: An Inference to Chemical Contamination of Food Chain. Sumanta Nayek, Suprakash Roy, Suvanka Dutta, Rajnarayan Saha,and Tanmoy Chakraborty; International Journal of Chemoinformatics & Chemical Engineering, USA. Voume-3, Issue-2. 117-124, 2013.
• A New QSAR Modeling to Correlate the Drug Activity of Oxazoline Compounds with the Quantum Mechanical Descriptors . Tanmoy Chakraborty, Dulal C. Ghosh* , International Journal of Biotechnology and Bioengineering Research, Voume-4,Issue-4. 427-432, 2013.
• Quantum Mechanical Study of Some Atomic Properties.Prabhat Ranjan, Tanmoy Chakraborty*, Journal of International Academy of Physical Sciences, Voume-17, Issue-2. 39-432, 2013.
• Correlation of the Drug Activities and Identification of the Reactive Sites in the Structure of Some Chlorofuranone derivatives in terms of the Molecular Orbital and the Density Functional Descriptors . Tanmoy Chakraborty, Dulal C. Ghosh* (Submitted).
• A Brief Survey on Quantum Chemical Descriptors in QSAR/QSPR Studies of Bio-Active Molecules. Tanmoy Chakraborty, Dulal C. Ghosh* (Submitted).
• A New Set of Ground State Static Atomic Dipole Polarizability of 103 Elements.
Tanmoy Chakraborty, Raka Biswas and Dulal C. Ghosh* (Submitted)
• Correlation of the Experimental and Theoretical Study for the Cyclisation Reaction of Mesoionic Heterocycle Imidazo[1,5-a]pyridines in terms of the Density Functional Descriptors.Suprakash Roy,Seema Dhail, Subhendu Naskar and Tanmoy Chakraborty*. To be published in edited research book -“Computational and Experimental Chemistry- Developments and Applications”, Published by Apple Academic Press and Distributed by Taylor & Francis Group,USA, in 2013.
Researchgroup, Institute, University, School, Company name
DEPARTMENT OF CHEMISTRY, MANIPAL UNIVERSITY JAIPUR, RAJASTHAN,INDIA
Researchgroup, Institute, Company, University, School webpage
Welcome! Nanopaprika was cooked up by Hungarian chemistry PhD student in 2007. The main idea was to create something more personal than the other nano networks already on the Internet. Community is open to everyone from post-doctorial researchers and professors to students everywhere.
There is only one important assumption: you have to be interested in nano!
Nanopaprika is always looking for new partners, if you have any idea, contact me at firstname.lastname@example.org