Academic Background
M.Sc. University of Burdwan (1985)
Ph.D. University of Burdwan (1992)
Professional Experiences
- Research Associate: NCL, Pune (1993-1995)
- Scientist: Ecole de Chemie, Montpellier,France (1995-1996)
- Visiting Scientist: University of Leuven, Belgium (1996-1998, 2003, 2005)
- Senior Scientist: AIST, Tsukuba, Japan (1998-2002)
- Reader: Department of Chemistry, NEHU (2003-present)
Research Interests
- Fundamental and Computational Quantum Chemistry;
- Reactivity & Theoretical Reaction Kinetics
- Weak Interactions
Research Activities
Theoretical studies on kinetics and mechanism of hydrogen abstraction reactions of hydrocarbons with OH radical and Cl atom. Funded by DST, India (2006)
- Representative Publications
1. Blue Shifts of the C-H Stretching Vibrations in Hydrogen-bonded and Protonated Trimethylamine. Effect of Hyperconjugation on Bond Properties, A.K. Chandra, S. Parveen, S. Das and Th. Zeegers-Huyskens J. Comput. Chem. 29, 1490 (2008)
2. Anomeric Effects in the Symmetrical and Asymmetrical Structures of Triethylamine. Blue shifts of the C-H Stretching Vibrations in Complexed and Protonated Triethylamine, A.K. Chandra, S. Parveen and Th. Zeegers-Huyskens J. Phys. Chem. A 111, 8884 (2007).
3. Use of DFT-based reactivity descriptors for rationalizing radical addition reactions: applicability and difficulties, A.K. Chandra and M.T. Nguyen Faraday Discussions 135, 191 (2007).
4. A Theoretical Study of the Substituent Effects on the S-H Bond Dissociation Energy and Ionization Energy of 3-Pyridinethiol: Prediction of Novel Antioxidant, P.-C. Nam, M.T. Nguyen, A.K. Chandra J. Phys. Chem. A 110, 10904 (2006).
5. Theoretical Study of (CH…C)- Hydrogen Bonds in CH4-n Xn(X = F, Cl; n = 0, 1, 2) Systems Complexed with their Homoconjugate and Heteroconjugate Carbanions, A.K. Chandra and Th. Zeegers-Huyskens J. Phys. Chem. A 109, 12006 (2005). |
