Journal Articles
2022
In Preparation / Work Under Progress:
24. Jayanta Ghosh, Sankhabrata Chandra and Atanu Bhattacharya*, "High Harmonic Generation Spectrum of Energetic Molecule Nitromethane", Chemical Physics Letters, 806, 139999 (2022).
- Femtochemistry of Nanocatalysis
- Effect of Palladium(+2) Doping to the alfa-Fe2O3(0001) Surface on the Room Temperature Adsorption of CO2
- Nonadiabatic Decomposition Dynamics of Energetic Molecules
- Surface Chemistry of CO2 on Doped Rh(111) Surface
24. Jayanta Ghosh, Sankhabrata Chandra and Atanu Bhattacharya*, "High Harmonic Generation Spectrum of Energetic Molecule Nitromethane", Chemical Physics Letters, 806, 139999 (2022).
2021
23. Sourav Banerjee, Jayanta Ghosh, Arpan Chakraborty, Anupam Bera and Atanu Bhattacharya*, "Catalytic Oadsorbed+Oadsorbed=O2,gas Desorption from c(2x2)-O and p(5x5)-O Phases on Single Crystal Pd(100) Surface: Observing the Unseen using Femtosecond Laser Spectroscopy" Chemical Physics Letters, 2021, 784, 139117.
22. Sourav Banerjee, Anupam Bera, Arpan Chakraborty, Jayanta Ghosh, Sophy Mariam Varghese and Atanu Bhattacharya*, "Ultrafast Dynamics of Recombinative Desorption of Molecular Oxygen from the Single Crystal Pd(110) Surface" Chemical Physics, 2021, 551, 111332.
21. Sampad Bag, Sankhabrata Chandra, Jayanta Ghosh, Anupam Bera, Elliot R. Bernstein and Atanu Bhattacharya*, "The Attochemistry of Chemical Bonding" International Reviews in Physical Chemistry, 2021, 40, 405-455.
20. Sampad Bag, Sankhabrata Chandra, Souvick Chakraborty and Atanu Bhattacharya*, "On The Analysis of High Harmonic Generation Spectra of Atoms and Molecules Using Molecular Electrostatic Potential" Journal of Physical Chemistry A, 2021, 125, 3689-3695.
22. Sourav Banerjee, Anupam Bera, Arpan Chakraborty, Jayanta Ghosh, Sophy Mariam Varghese and Atanu Bhattacharya*, "Ultrafast Dynamics of Recombinative Desorption of Molecular Oxygen from the Single Crystal Pd(110) Surface" Chemical Physics, 2021, 551, 111332.
21. Sampad Bag, Sankhabrata Chandra, Jayanta Ghosh, Anupam Bera, Elliot R. Bernstein and Atanu Bhattacharya*, "The Attochemistry of Chemical Bonding" International Reviews in Physical Chemistry, 2021, 40, 405-455.
20. Sampad Bag, Sankhabrata Chandra, Souvick Chakraborty and Atanu Bhattacharya*, "On The Analysis of High Harmonic Generation Spectra of Atoms and Molecules Using Molecular Electrostatic Potential" Journal of Physical Chemistry A, 2021, 125, 3689-3695.
2020
19. Elliot R. Bernstein and Atanu Bhattacharya, "Exploring Intra- and Inter-molecular Interactions Between Non-Covalently Bonded Species Through Investigations of Clusters: Past, Present and Future" in the Book "Intra- and Inter-molecular Interactions Between Noncovalently Bonded Species" 2020, Page 189-234
2019
18. Sankhabrata Chandra, Irfana Ansari, Gopal Dixit, Franck Lepine and Atanu Bhattacharya*, "Experimental Evidence of Sensitivity of the High Harmonic Generation to the Hydrogen Bonding" Journal of Physical Chemistry A, 2019, 123, 5144.
17. Jayanta Ghosh, Harshad Gajapathy, Ajay Jayachandran, Elliot R. Bernstein and Atanu Bhattacharya*, "On the Electronically Nonadiabatic Decomposition Dynamics of Furazan and Triazole Energetic Molecules" The Journal of Chemical Physics, 2019, 150, 164304.
17. Jayanta Ghosh, Harshad Gajapathy, Ajay Jayachandran, Elliot R. Bernstein and Atanu Bhattacharya*, "On the Electronically Nonadiabatic Decomposition Dynamics of Furazan and Triazole Energetic Molecules" The Journal of Chemical Physics, 2019, 150, 164304.
2018
16. Sourav Banerjee, Anupam Bera and Atanu Bhattacharya*, "Femtosecond Laser-Induced Recombinative O+O=O2 Reaction on Single Crystal Pd(100) Surface Requires Thermal Assistance" Journal of Physical Chemistry C, 2018, 122, 26039-26046.
15. Anupam Bera, Sourav Banerjee, Atanu Bhattacharya,* Nidhi Tiwari, Shambhu Nath Jha, Dibyendu Bhattacharyya, "Morphology, Stability, Structure and CO2-Surface Chemistry of Micelle Nanolithographically Prepared Two-Dimensional Arrays of Core-Shell Fe-Pd Multicomponent Nanoparticles" Journal of Physical Chemistry C, 2018, 122, 26528-26542.
14. Jayanta Ghosh, Suman Bhaumik and Atanu Bhattacharya*, "Comparison of Internal Conversion Dynamics of Azo and Azoxy Energetic Moieties through the (S1/S0)CI Conical Intersection: An Ab Initio Multiple Spawning Study" Chemical Physics, 2018, 513, 221-229.
13. Anupam Bera, Atanu Bhattacharya*, Nidhi Tiwari, Shambhu Nath Jha and Dibyendu Bhattacharyya, "Morphology, Stability, and X-ray Absorption Spectroscopic Study of Iron Oxide (Hematite) Nanoparticles Prepared by Micelle Nanolithography." Surface Science, 2018, 669, 145-153.
15. Anupam Bera, Sourav Banerjee, Atanu Bhattacharya,* Nidhi Tiwari, Shambhu Nath Jha, Dibyendu Bhattacharyya, "Morphology, Stability, Structure and CO2-Surface Chemistry of Micelle Nanolithographically Prepared Two-Dimensional Arrays of Core-Shell Fe-Pd Multicomponent Nanoparticles" Journal of Physical Chemistry C, 2018, 122, 26528-26542.
14. Jayanta Ghosh, Suman Bhaumik and Atanu Bhattacharya*, "Comparison of Internal Conversion Dynamics of Azo and Azoxy Energetic Moieties through the (S1/S0)CI Conical Intersection: An Ab Initio Multiple Spawning Study" Chemical Physics, 2018, 513, 221-229.
13. Anupam Bera, Atanu Bhattacharya*, Nidhi Tiwari, Shambhu Nath Jha and Dibyendu Bhattacharyya, "Morphology, Stability, and X-ray Absorption Spectroscopic Study of Iron Oxide (Hematite) Nanoparticles Prepared by Micelle Nanolithography." Surface Science, 2018, 669, 145-153.
2017
12. Jayanta Ghosh, Harshad Gajapathy, Arindam Konar, Gowrav M. N. and Atanu Bhattacharya*, "Sub-500 Femtosecond Electronically Nonadiabatic Chemical Dynamics of Energetic Molecules from the S1 Excited State: Ab Initio Multiple Spawning Study." The Journal of Chemical Physics, 2017, 147, 204302 (1-17)
11. Sampad Bag, Sankhabrata Chandra and Atanu Bhattacharya*, "Molecular Attochemistry in Non-Polar Liquid Environment: Ultrafast Charge Migration Dynamics through Gold-Thiolate and Gold-Selenolate Linkages" Physical Chemistry Chemical Physics, 2017, 19, 26679-26696.
10. Jayanta Ghosh, Shaibal Banerjee and Atanu Bhattacharya* "AIMS Simulation Study of Ultrafast Electronically Nonadiabatic Chemistry of Methyl Azide and UV-VIS Spectroscopic Study of Azido-Based Energetic Plasticizer Bis(1,3-diazidoprop-2-yl)malonate" Chemical Physics, 2017, 494, 78-89.
9. Anupam Bera, Jayanta Ghosh and Atanu Bhattacharya* "Ab Initio Multiple Spawning Dynamics Study of Dimethylnitramine and Dimethylnitramine-Fe Complex to Model Their Ultrafast Nonadiabatic Chemistry" The Journal of Chemical Physics, 2017, 147, 044308 (1-17).
11. Sampad Bag, Sankhabrata Chandra and Atanu Bhattacharya*, "Molecular Attochemistry in Non-Polar Liquid Environment: Ultrafast Charge Migration Dynamics through Gold-Thiolate and Gold-Selenolate Linkages" Physical Chemistry Chemical Physics, 2017, 19, 26679-26696.
10. Jayanta Ghosh, Shaibal Banerjee and Atanu Bhattacharya* "AIMS Simulation Study of Ultrafast Electronically Nonadiabatic Chemistry of Methyl Azide and UV-VIS Spectroscopic Study of Azido-Based Energetic Plasticizer Bis(1,3-diazidoprop-2-yl)malonate" Chemical Physics, 2017, 494, 78-89.
9. Anupam Bera, Jayanta Ghosh and Atanu Bhattacharya* "Ab Initio Multiple Spawning Dynamics Study of Dimethylnitramine and Dimethylnitramine-Fe Complex to Model Their Ultrafast Nonadiabatic Chemistry" The Journal of Chemical Physics, 2017, 147, 044308 (1-17).
2016
8. Sankhabrata Chandra and Atanu Bhattacharya*, "Attochemistry of Ionized Halogen, Chalcogen, Pnicogen, and Tetrel Non-Covalent Bonded Clusters" Journal of Physical Chemistry A, Feature Article, 2016, 120, 10057-10071. Appeared in Cover Art.
7. Sankhabrata Chandra, Mohammed Musthafa Iqbal and Atanu Bhattacharya*, "On the Attosecond Charge Migration in Cl.....N, Cl.....O, Br.....N, and Br.....O Halogen Bonded Clusters: Effect of Donors, Acceptor, Vibration, Rotation, and Electron Correlation" Journal of Chemical Sciences, 2016, 128, 1175–1189. Appeared in Cover Art.
6. Sourav Banerjee, Sharath A. Shetty, Gowrav M. N., Charlie Oommen and Atanu Bhattacharya*, "Decomposition of Monopropellant HAN on Pd(100) and Ir(100) Surfaces: A DFT Study" Surface Science, 2016, 653, 1-10.
5. Sankhabrata Chandra, Bhaskar Rana, Ganga Periyasamy and Atanu Bhattacharya* "On the Ultrafast Charge Migration Dynamics in Isolated Ionized Halogen, Chalcogen, Pnicogen, and Tetrel Bonded Clusters" Chemical Physics, 2016, 472, 61-71.
4. Jayanta Ghosh and Atanu Bhattacharya* "Prediction of Electronically Nonadiabatic Decomposition Mechanisms of Isolated Gas Phase Nitrogen-Rich Energetic Salt: Guanidium-Triazolate" Chemical Physics, 2016, 464, 26-39.
7. Sankhabrata Chandra, Mohammed Musthafa Iqbal and Atanu Bhattacharya*, "On the Attosecond Charge Migration in Cl.....N, Cl.....O, Br.....N, and Br.....O Halogen Bonded Clusters: Effect of Donors, Acceptor, Vibration, Rotation, and Electron Correlation" Journal of Chemical Sciences, 2016, 128, 1175–1189. Appeared in Cover Art.
6. Sourav Banerjee, Sharath A. Shetty, Gowrav M. N., Charlie Oommen and Atanu Bhattacharya*, "Decomposition of Monopropellant HAN on Pd(100) and Ir(100) Surfaces: A DFT Study" Surface Science, 2016, 653, 1-10.
5. Sankhabrata Chandra, Bhaskar Rana, Ganga Periyasamy and Atanu Bhattacharya* "On the Ultrafast Charge Migration Dynamics in Isolated Ionized Halogen, Chalcogen, Pnicogen, and Tetrel Bonded Clusters" Chemical Physics, 2016, 472, 61-71.
4. Jayanta Ghosh and Atanu Bhattacharya* "Prediction of Electronically Nonadiabatic Decomposition Mechanisms of Isolated Gas Phase Nitrogen-Rich Energetic Salt: Guanidium-Triazolate" Chemical Physics, 2016, 464, 26-39.
2015
3. Sankhabrata Chandra, Ganga Periyasamy and Atanu Bhattacharya* "On the Ultrafast Charge Migration and Subsequent Charge Directed Reactivity in Cl.....N Halogen Bonded Clusters Following Vertical Ionization" The Journal of Chemical Physics, 2015, 142, 244309
2. Anupam Bera and Atanu Bhattacharya* "Excited Electronic State Decomposition Mechanisms of a Model Metalized Nitramine Energetic System: Dimethylnitramine-Aluminum Clusters" Journal of Chemical Sciences, 2015, 127, 71-82
1. Anupam Bera, Sonal Maroo and Atanu Bhattacharya* "Electronically Nonadiabatic Decomposition Mechanisms of Clusters of Zinc and Dimethylnitramine" Chemical Physics, 2015, 446, 47-56.
2. Anupam Bera and Atanu Bhattacharya* "Excited Electronic State Decomposition Mechanisms of a Model Metalized Nitramine Energetic System: Dimethylnitramine-Aluminum Clusters" Journal of Chemical Sciences, 2015, 127, 71-82
1. Anupam Bera, Sonal Maroo and Atanu Bhattacharya* "Electronically Nonadiabatic Decomposition Mechanisms of Clusters of Zinc and Dimethylnitramine" Chemical Physics, 2015, 446, 47-56.
Pre-IISc Selected Publications
- Tetsuo Katayama, et al, Atanu Bhattacharya, and Toshinori Suzuki* et al., "Femtosecond X-ray Absorption Spectroscopy with Hard X-ray Free Electron Laser" Applied Physics Letters, 2013, 103, 131105.
- Atanu Bhattacharya, Yuanqing Guo and Elliot R. Bernstein*, "Nonadiabatic Reaction of Energetic Molecules", Accounts of Chemical Research, 2010, 43, 1476-1485.
- Yuanqing Guo, Atanu Bhattacharya and Elliot R. Bernstein* "Decomposition of Excited Electronic State s-Tetrazine and its Energetic Derivatives" Journal of Chemical Physics, 2011, 134, 024318-024318-9
- Yuanqing Guo, Atanu Bhattacharya and Elliot R. Bernstein* "Ultrafast S1 to S0 Internal Conversion Dynamics for Dimethylnitramine through a Conical Intersection" Journal of Physical Chemistry A, 2011, 115, 9349-9353.
- Atanu Bhattacharya and Elliot R. Bernstein*, "Nonadiabatic Decomposition of Gas-Phase RDX through Conical Intersections: An ONIOM-CASSCF Study", Journal of Physical Chemistry A, 2011, 115, 4135-4147.
- Atanu Bhattacharya, Joong-Won Shin, Keven J. Clawson, and Elliot R. Bernstein*, "Conformation Specific and Charge Directed Reactivity of Radical Cation Intermediates of alfa-Substituted (Amino Hydroxy, and Keto) Bioactive Carboxylic Acids" Physical Chemistry Chemical Physics, 2010, 12, 9700-9712.