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Professor, Department of MBA |
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Office: Department of Chemistry, Physical Chemistry Section, Jadavpur University,
Kolkata 700 032, India
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Education
Degree | Year | University |
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) |
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Teaching Experience (8)
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Name Of The Institution |
Position Held |
Period |
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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 |
More |
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Industrial Experience (0)
Field of Specialization
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Physical Chemistry
Quantum Chemistry
Computational Chemistry
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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.
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Research Area
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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
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Experience
Teaching at the undergraduate and post-graduate level since 1985;
research on Quantum Chemistry; computational methodologies used in Chemical problems.
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Conference Papers Published (0)
Journal Papers Published (135)
Title of the paper |
Journal of publication |
Year |
Role |
Vol Number-Page Name |
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Deciphering the Impact of Surface Defects and Functionalization on the Binding Strength and Electronic Properties of Graphene-Polypyrrole Nanocomposites: A First-Principles Approach |
J. Phys. Chem. C |
2019 |
P.N. Samanta and K. K. Das |
123-5447-5459 |
A Complementary XRD and Theoretical Study of Water Induced Solid State Ionic Separation of Br-and Pyrazolium: A Case for Paradoxical Cation-Water Cluster |
Chemistry Select |
2017 |
K. S. Das, A. Goswami, P. N. Samanta, K. K. Das, R. Mondal |
2-5288-5291 |
Noncovalent interaction assisted fullerene for the transportation of some brain anticancer drugs: a theoretical study |
J. Mole. Graph. Modelling |
2017 |
P.N. Samanta and K. K. Das |
72-187-200 |
Inhibition activities of catechol diether based non-nucleoside inhibitors against the HIV reverse transcriptase variants: Insights from molecular docking and ONIOM calculations |
J. Mole. Graph. Modelling |
2017 |
P.N. Samanta and K. K. Das |
75-294-305 |
QM/MM Study of the Interaction between Zigzag SnC Nanotube and Small Toxic Gas Molecules |
Int. J. Quant. Chem. |
2016 |
P.N. Samanta and K. K. Das |
116-411- 420 |
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Books Published (0)
Awards(5)
Awarded By |
Award Name |
Year |
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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 |
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Ph.D. Thesis Guidance (9)
Name Of The Scholar |
Title Of The Thesis |
Co-Superviser |
Status |
Year |
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Dr. Pabitra Narayan Samanta |
QUANTUM MECHANICAL STUDIES ON THE ELECTRONIC STRUCTURE, BONDING, AND PROPERTIES OF MOLECULES, CLUSTERS, AND NANOMATERIALS OF GROUP 14 ELEMENTS |
None |
Complete |
2014 | 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 | More |
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M.Phil. Thesis Guidance (0)
MASTER Thesis Guidance (5)
Name Of The Scholar |
Title Of The Thesis |
Co-Superviser |
Year |
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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 |
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Project Works (6)
Project Title |
Worked As |
Funding Agency |
Amount |
Duration |
Period |
Status |
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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 | More |
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Patents (0)
Collaborative Programs (0)
InviteLectures (0)
Membership Of Learned Societies (0)
Orientation/Refresher/QIP CourseAttended/Organized (12)
Program Name |
Organised By |
Venue |
Year |
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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 | More |
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Seminar/Conference/Workshop (0)
Session chaired (0)
Professional Society Activity (2)
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Type of Professional Activity |
Period |
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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.
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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
Holland)
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)
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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)
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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 |
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