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  • Dr. M.M. Balakrishna Rajan

    Designation: 
    Assistant Professor
    Department: 
    Department of Chemistry
    Gender: 
    Male
    Academic
    Academics: 
    DegreeSpecializationUniversity / InstitutionYear of Completion
    1Ph.D.Chemical GraphsBharathidasan University1997
    2M.ScChemistryBharathidasan University1990
    3B.ScChemistryBishop Heber College, Trichy1988
    Total Experience: 
    24 years in Research & 11 years in Teaching
    Area of Specialization/Interest: 

    Chemical information sciences - Structure and Bonding philosophy – electronic effects – FMO theory – Band gap engineering in nanotubes, nanosheets and solids – Mapping of molecules to materials – Surface studies and Catalysis – Reaction mechanisms – Optical and magnetic properties – Algorithmic graph theory – Artificial intelligence.

    Research Overview:

    Our basic interest is in retrieving the vital chemical information of molecules large and small, nanostructures and solids, from the data generated by state-of-art Quantum calculations such as Post Hartree-Fock and DFT by well as vintage tools like extended Huckel.  The aim is extract the hidden chemical information from the quantitative calculations using FMO theory to explain its properties.  We specialize in making generalizations and explanations based on these abstract chemical paradigms, to arrive at pragmatically useful explanations and interpretations.  Our scope is diverse, that spans across organic, inorganic, organometallic and biological compounds and study their physico-chemical properties like reactivity, optical spectra and luminescence.  We are also interested defining new invariants for explaining chemical phenomena, designing algorithms that employs tools of artificial intelligence like heuristic reasoning, learning etc., and developing software primarily using C++ for their computation.

    Publications (in last 3 years): 
    1. Density Functional Study on (NCH)n Azagraphane: Activated surface for organocatalysis
      Marutheeswaran, S.,  Pancharatna, P. D., Balakrishnarajan, M. M.
      Phys. Chem. Chem. Phys., 2014, 16, 19861.
    2. Electronic Origin of Out-of-Plane Distortions in Porphyrins,
      Austeria, M. P., Pancharatna, P. D., Balakrishnarajan, M. M.
      Eur. J. Inorg. Chem. 2014, 2014, 3200.
    3. Preference for propellane motif in pure silicon nanosheets,
      Marutheeswaran, S.,  Pancharatna, P. D., Balakrishnarajan, M. M.
      Phys. Chem. Chem. Phys.
      , 2014, 16, 11186.
    4. Deltahedra With holes: Structural preferences of supraicosahedral boranes
      Pancharatna, P. D., Marutheeswaran, S., Austeria M. P, Balakrishnarajan, M. M.  
      Polyheron,2013, 63, 55.
    5.  Polyhedral Borane analogues of Benzyne and beyond: Bonding in Variously charged B12H10 isomers,
      Pancharatna, P. D., Balakrishnarajan, M. M.,
      Jemmis E. D., Hoffmann, R., J. Am. Chem. Soc., 2012, 134, 5916.
    Seminars/Conferences/Workshops Participated(Last 3 Years): 
    Year Organised by Level of Participation* Title of Programme (International/National/Institution)
    2013 NIT, Tiruchirappalli Oral presentation Computational  Methods in Chemistry (National)
    2012 St. Josheph’s College, Irinjalakkuda Oral presentation New Horizons in Chemistry (International)
    Honours / Awards (if any): 
    • The intelligent algorithms developed for matching polymomials and perfect matchings in graph theory are the fastest known till date both in terms of time and memory requirements.
    • The electron counting rules developed for polyhedral boranes are replaced the old Wade’s rule in recent inorganic chemistry text-books.
    • The age old bonding puzzles like origin of partial/mixed occupancies in covalent solids like boron carbide, β-boron are successfully solved exclusively by using chemical reasoning.
    Institution/Dept. Development Activities: 


    Research Training

           

     


    Position


    Specialization


    Guide


    University


    Duration

    Ph.D.

    Chemical Graphs


    P. Venuvanalingam

    Bharathidasan

    1991-1997

    RA(CSIR)

    Polyhedral Boranes

    E. D. Jemmis

    Hyderabad

    1998-2001

    PDF(NSF)

    Molecules to Materials


    Roald Hoffmann

    Cornell

    2001-2004

    Any Others: 

    Ø  The intelligent algorithms developed for matching polymomials and perfect matchings in graph theory are the fastest known till date both in terms of time and memory requirements.

    Ø  The electron counting rules developed for polyhedral boranes are replaced the old Wade’s rule in recent inorganic chemistry text-books.

    Ø  The age old bonding puzzles like origin of partial/mixed occupancies in covalent solids like boron carbide, β-boron are successfully solved exclusively by using chemical reasoning.

     

    Contact Details
    Email: 
    mmbkr.che@pondiuni.edu.in