Professor, Department of Chemistry
Office: Department of Chemistry, Physical Chemistry Section, Jadavpur University,
Kolkata 700 032, India
Web Address:


Ph.D. 1987 Jadavpur University/ Indian Association for the Cultivation of Sciences
M.Sc 1981 Burdwan University (Gold Medalist)
B.Sc 1979 Burdwan University (Ranked 2nd)

Teaching Experience (8)
Name Of The Institution Position Held Period

Jadavpur University Kolkata 700 032, India Professor in Physical Chemistry 2005 to continuing
Bergische Universität Gesamthochschule Wuppertal, Germany Visiting scientist Full position, BAT IIA 2000 to 2000
Jadavpur University Kolkata 700 032, India Reader in Chemistry 1998 to 2005
Bergische Universität Gesamthochschule Wuppertal, Germany Marie-Curie Fellow, Commission of the European Communities 1994 to 1995
Jadavpur University Kolkata 700 032, India Senior Lecturer in Chemistry 1991 to 1998
Industrial Experience (0)
Field of Specialization
Physical Chemistry
Quantum Chemistry
Computational Chemistry
Courses Taught/Teaching
UG and BE teaching:

Kinetic Theory; Gas, liquid and solid states; Phase Rule; Electrochemistry; Collegative properties; Thermodynamics; Quantum Mechanics.

Post Graduate teaching:

Symmetry & group theory; Basic Quantum Mechanics; Statistical Thermodynamics; Quantum Chemistry; Statistical Mechanics & irreversible thermodynamics.
Research Area
Ab initio based molecular orbital methods,

Multiconfiguration self-consistent-field MCSCF) methods,

Non-relativistic and relativistic configuration interaction (CI) methods,

Theoretical spectroscopy of small molecules,

Quantum chemistry of large molecules in ground and excited states.

Theoretical studies on the electronic structure and transport properties of nanotubes
Teaching at the undergraduate and post-graduate level since 1985;
research on Quantum Chemistry; computational methodologies used in Chemical problems.
Conference Papers Published (0)
Journal Papers Published (122)
Title of the paper Journal of publication Year Role Vol Number-Page Name

Electronic Transport Properties of Single Walled Zigzag SiGe Nanotubes. J. Phys. Chem. C 2014 Corresponding Author 118-18153
Electron transport properties of zigzag single walled tin carbide nanotubes. Comput. Mater. Science 2014 Corresponding author 81-326-331
First principle study of the sensitivity of CO adsorption on pure and binary clusters of lead and silicon European Physical Journal D 2014 Corresponding Author 68-201
Theoretical investigation of electronic states and spectroscopic properties of tellurium selenide molecule employing relativistic effective core potentials Spectro. Chim. Acta A: Mole. & Biomol. Spectrosc 2014 124-618-628
Adsorption of CO, SO2, HCN, NH3, and H2CO on zigzag GaP nanotubes : a QM/MM study RSC Advances 2014 Corresponding author 4(103)-59056-59063
Books Published (0)
Awarded By Award Name Year

Commission of the European Community Marie-Curie Fellow 1994
IUPAC Affiliate member of IUPAC 1992
Burdwan University Burdwan University-Gold Medal 1979
Burdwan University Bardhaman Sanmiloni-Gold Medal 1979
WB Higher Education National Scholarship 1977
Ph.D. Thesis Guidance (9)
Name Of The Scholar Title Of The Thesis Co-Superviser Status Year

Dr. Susmita Chakrabarti Quantum Mechanical Studies on the Electronic Spectra of Some Diatomic Molecules and Ions of Si, Ge, Sn, Pb None Complete 2011
Dr. Amartya Banerjee Quantum mechanical studies on the electronic structure and spectroscopy of diatomic halides of indium and their ions None Complete 2011
Dr. Anup Pramanik Theoretical studies on the spectroscopy of some intragroup IVA heteronuclear diatomic molecules and their ions None Complete 2010
Dr. Dipankar Giri Quantum mechanical studies on the electronic structure and spectroscopy of tin monochalcogenides and some of their ions None Complete 2006
M.Phil. Thesis Guidance (0)
MASTER Thesis Guidance (5)
Name Of The Scholar Title Of The Thesis Co-Superviser Year

Tushar Debnath A theoretical investigation on the mechanism of nucleophilic substitution reaction of Fischer alkoxy carbene None 2011
Sumit Kumar Ghosh Quantum mechanical studies of aromatic alpha-dicarbonyl molecules None 2009
Debdurlav Nandy Quantum mechanical calculations of the electronic spectroscopy of magnesium hydride None 2004
Joydeep Bhattacharjee Spectroscopic studies on gallium iodide molecule the electronic states of the None 1999
Tapas Kumar Mandal Quantum mechanical calculations on the electronic states of the iodine molecule. None 1998
Project Works (6)
Project Title Worked As Funding Agency Amount Duration Period Status

Quantum mechanical studies of the electronic states of intragroup 14 diatomic molecules ans ions containing tin and lead Principal Investigator CSIR, India 1061000 3yrs August 1, 2010 to March 31, 2014 Complete
Quantum mechani-cal studies of the electronic states of oxides and sulfides of selenium and tellurium Co-Investigator UGC, India 555 3yrs 2007 to 2010 Complete
Theoretical investiga-tion on the spectros-copy of group-IV A intergroup heteronu-clear diatomic molecules Principle Investigator UGC, India 777 3yrs 2006 to 2009 Complete
Theoretical studies of the electronic spectrum of indium and thallium monohalides and their ions Principle Investigator CSIR, India 555 3yrs 2005 to 2008 Complete
Quantum mechani-cal studies on the electronic structure and spectroscopic properties of diatom-ic molecules of group IV-VI elements Principle Investigator CSIR, India 444 3yys 2002 to 2005 Complete
Patents (0)
Collaborative Programs (0)
InviteLectures (0)
Membership Of Learned Societies (0)
Orientation/Refresher/QIP CourseAttended/Organized (12)
Program Name Organised By Venue Year

Of Molecules and Materials (A survey of recent concepts)Indian Institute of Science Education & Research, Kolkata Indian Institute of Science Education & Research, Kolkata Indian Institute of Science Education & Research, Kolkata 2009
Molecules and Molecular orbital theories,UGC-sponsored Refresher Course, Dept. of Chemistry, JU Academic Staff College, JU JU 2009
Chemical Bonding: MO theories and beyond, Orientation Programme, Indian Academy of Sciences Indian Academy of Sciences Dept. of Chemistry, Gauhati University 2005
Modern Trend in Chemistry, UGC-sponsored Refresher Course, Academic Staff College, JU JU 2004
Basic Aspects of Chemistry: Theories and Application, UGC-sponsored Refresher Course, Dept. of Chemistry, Academic Staff College, JU Dept. of Chemistry, 2003
Seminar/Conference/Workshop (0)
Session chaired (0)
Professional Society Activity (2)
Type of Professional Activity Period

External Member, Board of Post-Graduate Studies in Chemistry, University of Burdwan 2013 to continuing
Section-in-charge, Physical Chemistry Section, Department of Chemistry, JU 2009 to 2011
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Consultancy work / Testing (0)
Other Notable Activities (1)

1. More than 120 research publications in National & International journals.
2. Served as a Journal Referee:

J. Physical Chemistry A (American Chemical Society),
Chemical Physics (Elsevier, North Holland),
Chemical Physics Letter (Elsevier, North Holland),
J. Molecular Spectroscopy (Elsevier, North Holland),
Pramana J. Physics (Ind. Acad. Sc.),
Spectroscopy Letters (Taylor & Francis),
Journal of Structure and Quantitative Reactivity (Elsevier, North
Indian J. Phys. (IACS, Kolkata)
J. Ind. Chem. Soc. (Indian Chemical Society)
Physica B (Elsevier, North Holland)
J. Inorganic and Organomettalic Polymers and materials (Spinger)
3. Project evaluated at the international level:

The Israel Science Foundation (ISF) of the Israel Academy of Sciences and Humanities
(Referee No. # 70770; PIN: 810455)
4. Served as an external paper-setter/ examiner for theoretical / practical / sessional examiner / moderator / project evaluator/ Ph.D.(Sc.) thesis examiner several times for Post-graduate students of the following institutions:

Department of chemistry, Burdwan University (paper-setter/examiner)
Department of Chemistry, Tripura University (Paper setter/examiner/guest lecturer)
Department of Biochemistry, Calcutta University (examiner)
Department of Chemistry, Manipur University (paper-setter/ examiner)
Department of Biophysics & Biochemistry, Kalyani University (paper-setter/ examiner)
Department of Chemistry, Bengal Engg. & Sc. University (moderator of PG exams.)
Department of Chemistry, Visva Bharati University (paper-setter/ examiner)
Department of Chemistry, IIT, Kharagpur (examiner, M.Sc. Project)
Department of Chemistry, North Bengal University (examiner)
Department of Chemuistry, Gauhati University
Department of Chemistry, Vidyasagar University
North-Eastern Hill University