Dr. Sourav Pal (FNA, FASC, FNASc, FRSC)

    Professor

    Department of Chemistry

    Indian Institute of Technology Bombay

    Powai, Mumbai 400076

    

    Ph:   022-2576 7195     

    Fax: 022 -2576 7152

    Email: spal[at]chem.iitb.ac.in

    Group Webpage

Academic Background

Post-Doc Research Work, 1987, University of Florida, Gainesville, FL,USA (Prof. R.J.Bartlett).

Ph. D. in Chemistry, 1985, IACS(Calcutta) (under the supervision of Prof. Debashis Mukherjee) .


Professional Experience

- Head, Physical and Materials Chemistry, NCL, Pune, from December 2002 till Nov 30, 2010.

- Director, CSIR- NCL, Pune from December 1, 2010 till May 31, 2015.

- Director (Additional Charge), CSIR- Central Salt & Marine Chemicals Research Institute, Bhavnagar (Gujarat) from June 1, 2014 till May 31, 2015.

- Adjunct Professor, Indian Institute of Science Education and Research, Pune from 2006 onwards.

- Professor (HAG), Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai from June 2015 onwards

 

Research Interests

 

  • Frontier Theoretical Development on Molecular Electric Properties .
  • Theoretical Investigation of Hard-Soft Acid-Base Relation .
  • Study of Electron - Molecule Scattering .
  • Development and Application of Molecular Dynamics .
  • Density functional response approach for molecular properties.
  • Magnetic properties.
  • Applications to interesting chemical problems.

Representative Publications:

       
  • "Relativistic extended coupled cluster method for magnetic hyperfine structure constant" - Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval, and Sourav Pal, (2015), Physical Review A., 91, 022512

  • "Implementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule" - Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval, and Sourav Pal, (2015), Physical Review A. 91, 030503(R)

  • "Reactivity and Catalytic Activity of Hydrogen Atom Chemisorbed Silver Clusters" - Dar Manzoor and Sourav Pal, (2015), J. Phys. Chem. A., DOI: 10.1021/acs.jpca.5b01987

  • "Oxidative addition of C-I bond on aluminum nanoclusters" - Turbasu Sengupta,Susanta Das and Sourav Pal, (2015), Nanoscale, 7,12109-12125, DOI: 10.1039/C5NR02278A

  • "Ground state of Naphthyl Cation: Singlet or Triplet" - Achintya Dutta, P. U Manohar, Nayana Vaval and Sourav Pal, (2014), J. Chem. Phys., 140:114312

  • "Effect of Silicon Doping on the Reactivity and Catalytic Activity of Gold Clusters" - Manzoor Dar, Sailaja Krishnamurty, Sourav Pal, (2014), J. Phys. Chem C., 118, 7501-7507.

  • "Partitioned EOMEA-MBPT(2): An Efficient N5 Scaling Method for Calculation of Electron Affinities" - Achintya Kumar Dutta, Jitendra Gupta, Himadri Pathak, Nayana Vaval, Sourav Pal, (2014), J. Chem. Theory and Comput., 10 , 1923-1933.

  • "Relativistic equation of motion coupled cluster method for the double ionization potentials of the closed shell atoms" - Himadri Pathak, Aryya Ghosh, B. K. Sahoo, B. P. Das, Nayana Vaval and Sourav Pal, (2014), Phys. Rev. A. Rapid Communication, 90, 010501

  • "Coupled cluster methods for autoionization resonances" - Y. Sajeev, Aryya Ghosh, Nayana Vaval , Sourav Pal, (2014), Int. Review in Physical Chemistry , 33, 397

  • "Intermediate Hamiltonian Fock Space Multi-reference Coupled Cluster Approach to Core Excitation Spectra" - Achintya Dutta, Jitendra Gupta, Nayana Vaval and Sourav Pal, (2014), J. Chem. Theory and Comput., 10,3656-3668.

  • "Hydrogen atom chemisorbed gold clusters as highly active catalysts for oxygen activation and CO oxidation " - Manzoor Dar and Sourav Pal, (2014), J. Phys. Chem C., 118, 30057-30062

  • "A Lagrange multiplier approach for excited state properties through Intermediate Hamiltonian formulation of Fock space multireference coupled-cluster theory" - Jitendra Gupta, Nayana Vaval, and Sourav Pal, (2013), J. Chem. Phys., 139, 074108.

  • "Electronic transition dipole moments and dipole oscillator strengths within Fock-space multi-reference coupled cluster framework - An efficient and novel approach" - Debarati Bhattacharya, Nayana Vaval, and Sourav Pal, (2013), J. Chem. Phys., 138, 094108.

  • "Equation-of-motion coupled-cluster method for the study of shape resonance" - Aryya Ghosh, Nayana Vaval and Sourav Pal, (2012), J. Chem. Phys., 136,234110.