Doctorates' Information System

     Santanab Giri

Ph.D. from - Department of Chemistry
Supervisor(s)  Professor Pratim Kumar Chattaraj
Ph.D. status  Joined in 2006 :: In progress
AddressC/O- Prof. P. K. Chattaraj, Theoretical Chemistry Laboratory, Department of Chemistry IIT Kharagpur, Kharagpur-721302
Formal Education
Exam / Degree Board / UnivBranchYear
B.Sc.Vidyasagar UniversityChemistry(Hons)2002
M.Sc.Vidyasagar UniversityChemistry (Physical Chemistry Special)2005

Research Areas
  • Density Functional Theory (DFT)
  • Molecular Clusters (stability, reactivity and aromaticity)
  • Chemical Reactivity and Toxicity

  • WINDOWS, LINUX, UNIX operating systems
  • GAUSSIAN 03, Gaussian, Inc, Pittsburgh, PA
  • DMol3 (MS Modeling), Accelrys. Inc. San Diego, California, USA

  • GATE
  • NET-Lectureship
  • Professor Santi Ranjan Palit Memorial Award, 2009 by Indian Chemical Society
  • Sir P. C. Ray Research Award 2009 by Calcutta University

  • First INDO US Lecture Series on Discrete Mathematical Chemistry January 8 to11, 2007 at PESIT, Bangalore.
  • 1st Indo-German Conference on Modeling Chemical and Biological (Reactivity) September 26 to 29, 2007 at IICT, Hyderabad
  • International Symposium on Clusters, Cluster Assemblies, and Nano-scale Materials February 9 to11, 2009 at HRI, Allahabad
  • 2nd Indo-German Conference on Modeling Chemical and Biological (Reactivity) October 4 to 7, 2009 at Wildbad Kreuth, Germany
  • One day Symposium in Chemistry January 6, 2006 at IIT Kharagpur, India
  • Symposium on Theoretical Chemistry (TCS 2006) December 11- to 13, 2006 at Bharathidasan University, Tiruchirappalli
  • One day Symposium in Chemistry, November 8, 2008 at IIT Kharagpur, India

Fellowships / Scholarships
  • CSIR Project

Papers Published in Journals
  • A Connection Between Softness and Magnetizability by P. K. Chattaraj, T.V.S. Arun Murthy, S. Giri and D.R. Roy J. Mole. Struc. (THEOCHEM) 813 ,63 (2007)
  • Electronic Structure Principles in Static and Dynamic Situations by P. K. Chattaraj, D.R.Roy and S. Giri Comp. Lett., (A.D. Buckingham Issue) 3, 223 (2007)
  • Stability, Reactivity, and Aromaticity of Compounds of a Multivalent Superatom by P. K. Chattaraj and S. Giri J. Phys. Chem. A 111, 11116 (2007)
  • A Minimum Electrophilicity Perspective of the HSAB Principle by P. K. Chattaraj and S. Giri Indian. J. Phys. (Special Issue on Atomic and Molecular Physics, Invited Article) 81, 871 (2007)
  • An Atom Counting and Electrophilicity based QSTR Approach by P. K. Chattaraj, D. R. Roy, S. Giri, S. Mukherjee, V. Subramanian, R. Parthasarathi, P. Bultinck and S. Van. Damme J. Chem. Sci. (Theoretical Chemistry Special Issue, Invited Article) 119 , 475 (2007)
  • An Atom Counting QSPR Protocol by S. Giri, D. R. Roy, S. Van Damme, Patrick Bultinck, V. Subramanian and P. K. Chattaraj QSAR and Comb. Sci 27, 208 (2008)
  • Quantum Classical Correspondence of a Field Induced KAM type Transition A QTM Approach by P. K. Chattaraj , S. Sengupta and S. Giri J. Chem. Sci (Special Issue on 10th CRSI National Symposium, Invited Article) 120, 33 (2008)
  • Initial Hardness Response and Hardness Profiles in the Study of Woodward-Hoffmann Rules for Electrocyclizations by F. De Proft, P. K. Chattaraj, P. W. Ayers, M. Torrent-Sucarrat, M. Elango, V. Subramanian, S. Giri, and P. Geerlings J. Chem. Theo. Comp. 4, 595 (2008)
  • Acidity of Meta- and Para-Substituted Aromatic Acids, A Conceptual DFT Study by K. Gupta, S. Giri. and P. K. Chattaraj New J. Chem. 32, 1945 (2008)
  • Variation in aromaticity and bonding patterns in a reaction cycle involving Be3(2-) and Mg3(2-) dianions by P. K. Chattaraj and S. Giri J. Mol. Struc.(Theochem) 865, 53 (2008)
  • Bonding, Reactivity and Aromaticity in Some Beryllocene Derivatives by S. Duley, P. Goyal, S. Giri and P. K. Chattaraj Croatica Chemica Acta (Special Issue on Professor Zvonimir Maksics 70th Birthday) 82, 193 (2009)
  • Multidecker Sandwich Complexes Using Be3(2-) and Mg3(2-) Dianions by P. K. Chattaraj and S. Giri Int. J. Quantum Chem. 109, 2373 (2009)
  • Electrophilicity index within a conceptual DFT framework by P. K. Chattaraj and S. Giri Annu. Rep. Prog. Chem., Sect. C 105, 13 (2009)
  • Arsenic toxicity, an atom counting and electrophilicity-based protocol by D.R.Roy , S. Giri and P. K. Chattaraj Mol. Divers. 13, 551 (2009)
  • Bonding, aromaticity and reactivity patterns in some all-metal and non-metal clusters by S. Duley, S. Giri, A. Chakraborty and P. K. Chattaraj J. Chem. Sci. 121, 849 (2009)
  • Net Electrophilicity by P. K. Chattaraj, A. Chakraborti and S. Giri J. Phys. Chem. A 113, 10068 (2009)
  • Dirichlet Boundary Conditions and Effect of Confinement on Chemical Reactivity by U. Sarkar, S. Giri and P. K. Chattaraj J. Phys. Chem. A 113, 10759 (2009)
  • Structure, bonding, reactivity and aromaticity of some selected Zn-clusters by A. Chakraborty, S. Giri and P. K. Chattaraj J. Mol. Struc.(Theochem) 913, 70 (2009)
  • Bonding, Aromaticity, and Structure of Trigonal Dianion Metal Clusters by S. Giri, D. R. Roy, S. Duley, A. Chakraborty, R. Parthasarathi, M. Elango, R. Vijayaraj, V. Subramanian, R. Islas, G. Merino and P. K. Chattaraj J. Comp. Chem. (In Press) (2009)
  • Analysis of the Structure, Bonding, Aromaticity and Existence of Possible Bond-Stretch Isomerism in Trigonal Anionic Metal Clusters by S. Giri, A. Chakraborty, S. Duley, G. Merino, V. Subramanian and P. K. Chattaraj ICCMSE Special AIP Publication (In Press) (2009)

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