Dr. Manabendra Sarma

Department of Chemistry, IIT Guwahati

Gallery

Theoretical Chemistry Laboratory

Research Publications

Research Publications in Refered Journals [* Corresponding Author]


  1. M. Sarma and M. Sarma*, “Synergistic Use of Molecular Dynamics Simulations and Quantum Mechanical Approaches to Unveil the Peptide-Arsenic Interactions”, (in preparation).

  2. R. R. Changmai, S. R. Daimari, and M. Sarma*, “Investigating the Impact of Atmospheric Water on •OH Radical-Induced Atmospheric Oxidation of Dichlorotetrafluoropropene (CF3CF=CCl2): A Comparative Experimental and Computational Study”, (in preparation).

  3. M. Sarma, M. P. Sarmah, and M. Sarma*, “In Silico Study of Molecular Recognition of Tetrahedral Anions by Polyglycine Receptor”, (in preparation).

  4. B. Lama and M. Sarma*, “Ultrafast Hot Exciton Nonadiabatic Excited-State Dynamics in Green Fluorescent Protein Chromophore Analogue”, (Submitted, Preprint available at DOI: 10.26434/chemrxiv-2023-rnbb6).

  5. D. Bora, F. R. Gayen, H. P. Bhattacharyya, S. Baguli, P. Patel, M. Sarma*, and B. Saha*, “Enhanced Catalytic Oxygen Evolution from Water by a Ferrocene Inducted Ir-NHC Complex: A Mechanistic Insight”, (Submitted).

  6. B. K. Rajbongshi*, S. Abdullah, B. Lama, H. P. Bhattacharyya, and M. Sarma*, “Regioselective and Solvent Dependent Photoisomerization Induced Internal Conversion in Red Fluorescent Protein Chromophore Analogues”, (Under Revision).

  7. R. Chyrmang, U. Nath, and M. Sarma*, “Insight into the Structural, Electronic, and Magnetic Properties of Mn, Fe, and Co-doped Bilayer Borophene”, (Under Revision).

  8. S. R. Daimari, R. R. Changmai, and M. Sarma*, “Investigating the Atmospheric Fate and Kinetics of OH Radical-Initiated Oxidation Reactions for Epoxybutane Isomers: A Theoretical Insight”, (Under Revision).

  9. T. Jena, Md. T. Hossain, U, Nath, M. Sarma, and P. K. Giri, “Salt-Catalyzed Directed Growth of Bilayer Palladium Diselenide (PdSe2) Dendrites and PdSe2-Pd2Se3 Junctions Exhibiting Very High SERS Sensitivity”, (Under Revision).

  10. H. P. Bhattacharyya and M. Sarma* (2024), “Efficiency Conceptualization Model: A Theoretical Method for Predicting the Turnover of Catalysts”, ChemPhysChem (in press, DOI: 10.1002/cphc.202400004).

  11. B. Medhi, U. Nath, and M. Sarma* (2024), “Revisiting Fulgide Photochromism: Mechanistic Decoding and Electron Transport from Computational Exploration”, J. Chem. Phys. (in press).

  12. U. Nath and M. Sarma* (2024), “Realization of Efficient and Selective NO and NO2 Detection via Surface Functionalized h-B2S2 Monolayer ”, Phys. Chem. Chem. Phys. Chem. (in press, DOI: 10.1039/D4CP00332B).

  13. A. Sarmah*, M. Sarma, T. Nakajima, M. Sarma, and P. Hobza (2024), “Spintronics on Demand: Optically Tunable Kondo-type Phenomena in Germanene-Azobenzene Single-molecule Junction”, J. Phys. Chem. C 128, 4687 – 4698.

  14. B. Medhi and M. Sarma* (2024), “Deciphering the Internal Conversion Processes Involved in Photochemical Ring Opening of 1,3-Cyclohexadiene by Symmetric sp2-Carbon Substitutions”, J. Phys. Chem. A 128, 2025 – 2037 (This article has appeared as a Cover Feature of the Journal).

  15. N. Keot and M. Sarma* (2023), “Probing the Dynamic Behaviour and Magnetic Identification of Seven Coordinated Mn(II) Complexes: A Combined AIMD and Multireference Approach”, Phys. Chem. Chem. Phys. 25, 31165 – 31177.

  16. N. Keot, B. Lama, H. K. Singh, H. P. Bhattacharyya, and M. Sarma* (2023), “Unveiling the Noncovalent Interaction of Thiazol-2-ylidene and its Derivatives as N-heterocyclic Carbene with Different Proton Donor Molecules”, ChemPhysChem 24, e202300413 (1 – 11).

  17. H. K. Singh, U. Nath, N. Keot, and M. Sarma* (2023), “Exploring π-π Interactions and Electron Transport in Complexes Involving Hexacationic Host and PAH Guest: A Promising Avenue for Molecular Devices”, Phys. Chem. Chem. Phys. 25, 26767 – 26778.

  18. A. Sarmah*, M. Sarma, M. Sarma, and P. Hobza (2023), “Functional Design of a Reconfigurable Molecular Nanomachine: A Promising Domain for Optically Propelled Molecular Motors”, J. Phys. Chem. C 127, 18574 – 18585.

  19. T. L. Fischer, M. Bödecker, S. M. Schweer, J. Dupont, V. Lepère, A. Zehnacker-Rentien, M. A. Suhm, B. Schröder, D. M. Andrada, T. Henkes, R. M. Balabin, H. K. Singh, H. P. Bhattacharyya, M. Sarma, E. D. Boittier, S. Käser, M. Meuwly, K. Töpfer, L. I. Vazquez-Salazar, M. Ceotto, R. Conte, C. Lanzi, G. Mandelli, V. Cisternas, F. Dietrich, R. Gnanasekaran, M. Hippler, M. Hochlaf, M. Jarraya, W. A. Kopp, K. Leonhard, T. Nevolianis, G. Rath, N. Viswanathan, and R. A. Mata* (2023), ““The First HyDRA Challenge for Computational Vibrational Spectroscopy”, Phys. Chem. Chem. Phys. 25, 22089 – 22102.

  20. S. Kumar, H. K. Singh, H. P. Bhattacharyya, and M. Sarma* (2023), “Low Energy Electron Interaction with Citric Acid: A Local Complex Potential based Time-Dependent Wavepacket Study”, J. Chem. Sci. 135, 88 (1 – 10) (invited contribution in the Special Issue on Interplay of Structure and Dynamics in Reaction Pathways, Chemical Reactivity and Biological Systems).

  21. R. Saini, G. R. Navale, S. Singh, H. K. Singh, R. Chauhan, S. Agrawal, D. Sarkar, M. Sarma, and K. Ghosh* (2023), “Inhibition of amyloid β1-42 Peptide Aggregation by Newly Designed Cyclometallated Palladium Complexes”, Int. J. Biol. Macromol. 248, 125847 (1 – 13).

  22. Md. T. Hossain, L. P. L. Mawlong, T. Jena, A. Bora, U. Nath, M. Sarma, and P. K. Giri* (2023), “Interlayer Charge-Transfer-Induced Photoluminescence Quenching and Enhanced Photoconduction in Two-Dimensional Bi2O2Se/MoS2 Type-II Heterojunction”, ACS Appl. Nano Mater. 6, 11023 – 11036.

  23. Md. T. Hossain, L. P. L. Mawlong, T. Jena, A. Bora, U. Nath, M. Sarma, and P. K. Giri* (2023), “Room Temperature Exciton Formation and Robust Optical Properties of CVD-Grown Ultrathin Bi2O2Se Crystals on Arbitrary Substrates”, Nanoscale 15, 11222 – 11236.

  24. H. K. Singh, R. R. Changmai, N. Keot, H. P. Bhattacharyya, and M. Sarma* (2023), “A Computational Insight on the Noncovalent Interactions of Aminothiazole-based Palladium(II) Complexes with DNA as a Potent Anticancer Agent”, Polyhedron 239, 116448 (1 – 12).

  25. S. Singh, G. R. Navale, S. Agrawal, H. K. Singh, L. Singla, D. Sarkar, M. Sarma, A. Roy Choudhury, and K. Ghosh* (2023), “Design and Synthesis of Piano-Stool Ruthenium(II) Complexes and their Studies on the Inhibition of amyloid β (1-42) Peptide Aggregation”, Int. J. Biol. Macromol. 239, 124197 (1 – 17).

  26. H. K. Singh and M. Sarma* (2023), “Torsional Rotation in Ditopic Receptor Host and its Complex Formation with Resorcinol Guest: A Computational Study”, ChemPhysChem 24, e202200928 (1 – 12).

  27. U. Nath and M. Sarma* (2023), “Reversible and Selective Adsorption of SO2 Over the Pyridinic dominance graphene: A Theoretical Perspective”, J. Phys. Chem. A 127, 1112 – 1123.

  28. T. Jena, Md. T. Hossain, U. Nath, M. Sarma, H. Sugimoto, M. Fujii, and P. K. Giri* (2023), “Evidence for Intrinsic Defects and Nanopores as Hotspots in 2D PdSe2 Dendrites for Plasmon-free SERS Substrate with a High Enhancement Factor”, npj 2D Mater Appl 7, 8 (1 – 13).

  29. P. Kalita#, B. Medhi#, H. K. Singh, H. P. Bhattacharyya, N. Gupt, and M. Sarma*, (2023) “Perturbing π-clouds with Substituents to Study the Effects on Reaction Dynamics of Gauche-1,3-butadiene to Bicyclobutane Electrocyclization”, ChemPhysChem 24, e202200727 (1 – 9).(invited contribution in the Special Collection of Theoretical Chemistry Symposium 2021, in press) [# Equal Contribution].

  30. N. Keot and M. Sarma* (2023), “A Computational Insight into Mechanistic Overview of Water-Exchange Kinetics and Thermodynamic Stabilities of Bis and Tris-Aquated Complexes of Lanthanides”, RSC Adv. 13, 1516 – 1529.

  31. B. Lama and M. Sarma* (2022), “Unraveling the Mechanistic Pathway for the Dual Fluorescence in Green Fluorescent Protein (GFP) Chromophore Analogue: A Detailed Theoretical Investigation”, J. Phys. Chem. B 126, 9930 – 9944 (This article has appeared as a Cover Feature of the Journal).

  32. R. R. Changmai and M. Sarma* (2022), “Tropospheric Oxidation of Dichlorotetrafluoropropene (CF3-CF=CCl2) initiated by OH Radical: Reaction Mechanisms, Kinetic Studies, and Atmospheric Implications”, ACS Earth Space Chem. 6, 1782 – 1792.

  33. B. K. Rajbongshi*, H. P. Bhattacharyya#, C. D. Pegu#, S. Sharma, P. K. Baruah*, and M. Sarma*, (2022) “Ultra-High Stokes Shift in Polycyclic Chromeno [2,3-b] Indoles”, Polycycl. Aromat. Comp. 42, 1710 – 1727. (DOI: 10.1080/10406638.2020.1804411) [# Equal Contribution].

  34. Sarmah Sudipta Bijoy, P. Kalita*, B. Das, A. Garg, L. Gao, R. K. Pai, and M. Sarma, (2020) “Numerical and Experimental Investigation of State of Health of Li-ion Battery”, Int. J. Green Energy 17, 510 – 520.

  35. A. Rana and M. Sarma* (2019), “Computational Investigation of Dissociative Electron Attachment to Ammonia”, J. Indian Chem. Soc. 96, 785 – 791. (invited contribution in the Speical Issue of Theoretical Chemistry).

  36. A. Buragohain, M. Yousufuddin, M. Sarma, and S. Biswas* (2016), “3D Luminescent Amide-Functionalized Cadmium Tetrazolate Framework for Selective Detection of 2, 4, 6 – Trinitrophenol”, Cryst. Growth Des. 16, 842 – 851.

  37. R. Bhaskaran and M. Sarma* (2015), “Low-Energy Electron Interaction with the Phosphate Group in DNA Molecule and the Characteristics of Single-Strand Break Pathways”, J. Phys. Chem. A 119, 10130 – 10136.

  38. R. Bhaskaran and M. Sarma* (2015), “The Role of the Shape Resonance State in Low Energy Electron Induced Single Strand Break in 2'-deoxycytidine-5'-monophosphate”, Phys. Chem. Chem. Phys. 17, 15250 – 15257.

  39. R. Bhaskaran and M. Sarma* (2014), “Low Energy Electron Induced Cytosine Base Release in 2'-deoxycytidine-3'-monophosphate Via Glycosidic Bond Cleavage : A Time-Dependent Wave Packet Study”, J. Chem. Phys. 141, 104309 (1 – 9).

  40. R. Bhaskaran and M. Sarma* (2013), “Effect of Quantum Tunneling on Single Strand Breaks in a Modeled Gas Phase Cytidine Nucleotide Induced by Low Energy Electron : A Theoretical Approach”, J. Chem. Phys. 139, 045103 (1 – 9).

  41. B. K. Shandilya, M. Sarma*, S. Adhikari*, and M. K. Mishra (2013), “Time Dependent Wave Packet Treatment of 2Πg N2– and 3Σ– NO– Shape Resonances Using Two-Dimensional Surfaces for Electron – N2 and NO Interactions”, Int. J. Quantum Chem. 113, 130 – 138.

  42. S. Bhowmick, Renjith B., M. K. Mishra, and M. Sarma* (2012), “Investigation of Dissociative Electron Attachment to 2'-deoxycytidine-3'-monophosphate Using DFT Method and Time Dependent Wave Packet Approach”, J. Chem. Phys. 137, 064310 (1 – 8).

  43. B. K. Shandilya, M. Sarma*, S. Adhikari, and M. K. Mishra (2012), “Vibrational Excitation Resulting from Electron Capture in LUMO of F2 and HCl – A Treatment Using the Time-Dependent Wave Packet Approach”, J. Chem. Sci. 124, 141 – 148. (invited contribution)

  44. Renjith B., S. Bhowmick, M. K. Mishra, and M. Sarma* (2011) “Low-Energy Electron-Induced Single Strand Breaks in 2'-deoxycytidine-3'-monophosphate Using the Local Complex Potential Based Time-Dependent Wave Packet Approach”, J. Phys. Chem. A 115, 13753 – 13758.

  45. M. Sarma* and M. K. Mishra* (2009), “Treatment of Vibrational Fine Structure in Resonant e-Diatom Scattering using Local Complex Potentials (LCPs) and Time Dependent Wave Packet (TDWP) Approach”, Adv. Quantum Chem. (invited review, in press).

  46. M. Sarma, S. Adhikari, and M. K. Mishra* (2009), “Laser Assisted Control of Selective Bond Dissociation in HOD – Some Mechanistic Insights”, Mol. Phys. 107, 939 – 961.

  47. M. Sarma, S. Adhikari, and M. K. Mishra* (2008), “An Examination of the Expectation Value Profiles for Average Stretch and Momentum in O-H and O-D Bonds of the HOD Molecule To Determine Their Role in Selective Photodissociation”, J. Phys. Chem. A 112, 13302 – 13307.

  48. M. Sarma and M. K. Mishra* (2008), “Role of Photolysis Frequency in Enhanced Selectivity and Yield for Controlled Bond Breaking in HOD”, J. Phys. Chem. A 112, 4895 – 4905.

  49. M. Sarma, S. Adhikari, and M. K. Mishra (2008), “Mechanistic Investigation of Vibrational Fine Structure in e – H2 Scattering Using Local Complex Potential-Based Time Dependent Wave Packet Approach”, Int. J. Quantum Chem. 108, 1044 – 1051.

  50. R. K. Singh, M. Sarma, and M. K. Mishra* (2007), “Approximate Construction of Local Complex Potentials for a Time Dependent Wave Packet based Treatment of Vibrational Excitation Cross-sections in Resonant e – N2, e – CO and e – H2 Scattering”, Indian J. Phys. 81, 983 – 1002. (invited contribution)

  51. R. K. Singh, M. Sarma, A. Jain, S. Adhikari, and M. K. Mishra* (2007), “Calculation of Vibrational Excitation Cross-sections in Resonant Electron-Molecule Scattering Using the Time-Dependent Wave Packet Approach with Application to the 2Π CO– Shape Resonance”, J. Chem. Sci. 119, 385 – 389. (invited contribution)

  52. M. Sarma, S. Adhikari, and M. K. Mishra* (2007), “Selective Control of HOD Photodissociation Using CW Lasers”, J. Chem. Sci. 119, 377 – 384. (invited contribution)

  53. M. Sarma, S. Adhikari, and M. K. Mishra* (2007), “Selective Photodissociation of O-H and O-D Bonds from Ground Vibrational State of HOD Using Simple UV Pulses”, J. Chem. Phys. 127, 024305 (1 – 5).

  54. M. Sarma, S. Adhikari, and M. K. Mishra* (2007), “Simple Systematization of Vibrational Excitation Cross-section Calculations for Resonant Electron-Molecule Scattering in the Boomerang and Impulse Models”, J. Chem. Phys. 126, 044309 (1 – 5).

  55. S. Adhikari, S. Deshpande, M. Sarma, V. Kurkal, and M. K. Mishra* (2006), “Selective Control of Photodissociation in Deutereted Water Molecule HOD”, Radiat. Phys. Chem. 75, 2106 – 2118.

  56. M. Sarma, S. Adhikari, and M. K. Mishra* (2006), “Selective Control of HOD Photodissociation Using Low Quanta O-D Excitation and Field Optimized Initial State (FOIST) based Combination of States and Colors”, Chem. Phys. Lett. 420, 321 – 329.

Research Publications in Books, Book Chapters [* Corresponding Author]


  1. B. K. Shandilya, M. Sarma*, S. Adhikari, and M. K. Mishra* (2015), “Selective Photodissociation of Bonds in 18O16O16O Molecule”, in Advances in Laser Physics and Technology, Ed. Man Mohan, Cambridge University Press, pp. 54 – 69.

  2. B. K. Shandilya, M. Sarma*, V. Kurkal-Siebert, S. Adhikari, and M. K. Mishra* (2013), “Selective Photodynamic Control of Bond Dissociation Using Optimal Initial Vibtrational States”, in Concepts and Methods in Modern Theoretical Chemistry : Statistical Mechanics, Eds. P. K. Chattaraj and S. K. Ghosh, Taylor & Francis / CRC Press, pp. 113 – 162.

  3. M. Sarma, S. Adhikari, S. Deshpande, Vandana K., and M. K. Mishra* (2008), “Selective Control of Photodissociation in HOD”, in Atoms and Molecules in Laser and External Fields, Ed. Man Mohan, Narosa Publications, pp. 59 – 70.

Research Publications in Conference Proceedings [* Corresponding Author]


  1. B. Lama and M. Sarma*, “Hot Excitonic Behavior in a GFP Chromophore Derivative via Excited-State Nonadiabatic Dynamics”, 29th IUPAC Symposium on Photochemistry (29th PhotoIUPAC), July 14 – 19, 2024, Valencia Conference Centre, Valencia, Spain (Poster).

  2. S. R. Daimari, R. R. Changmai, and M. Sarma*, “A Theoretical Perspective on OH Radical-Initiated Oxidation Reactions of Epoxybutane Isomers”, 2nd National Conference on Emerging Challenges in the Frontiers of Chemical Sciences (NC-ECFCS-2024), March 21 – 13, 2024, Department of Chemistry, Manipur University, Manipur, India (Invited Talk).

  3. S. R. Daimari, R. R. Changmai, and M. Sarma*, “Hydroxyl Radical Initiated Oxidation Reaction for a Series of Expoxybutane Isomers: A Theoretical Perspective”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2024, February 22 – 25, 2024, Kaziranga, Assam, India (Poster).

  4. M. P. Sarmah and M. Sarma*, “Effect of Arginine in the Electron Attachment to Guanosine”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2024, February 22 – 25, 2024, Kaziranga, Assam, India (Poster).

  5. S. Kumar and M. Sarma*, “Unraveling the Impact of Dissociative Electron Attachment on Halogenated 2´-deoxycytidine-3´-monophosphate”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2024, February 22 – 25, 2024, Kaziranga, Assam, India (Poster).

  6. R. R. Changmai, S. R. Daimari, and M. Sarma*, “Tropospheric Oxidation of HCFC-234fb initiated by •OH-radical and Cl-atom”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2024, February 22 – 25, 2024, Kaziranga, Assam, India (Poster).

  7. B. Medhi and M. Sarma*, “Unraveling Fulgide Photochromism: A Computational Approach to Mechanistic Understanding”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2024, February 22 – 25, 2024, Kaziranga, Assam, India (Poster).

  8. M. Sarma and M. Sarma*, “A Computational Study on the Binding Affinity of Tetrahedral Anions to the Polyglycine Receptor”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2024, February 22 – 25, 2024, Kaziranga, Assam, India (Poster).

  9. U. Nath and M. Sarma*, “Two-dimensional Oxygen Functionalized Boron Sulfide (Oh-B2S2) Monolayer: An Effective Nanosensor for NO and NO2 Detection”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2024, February 22 – 25, 2024, Kaziranga, Assam, India (Poster).

  10. N. Keot and M. Sarma*, “Solution dynamics and Magnetic Properties of Seven-Coordinate Mn(II) Complexes: Implications for Magnetic Resonance Imaging and Single Molecule Magnets”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2024, February 22 – 25, 2024, Kaziranga, Assam, India (Poster).

  11. H. P. Bhattacharyya and M. Sarma*, “Efficiency Conceptualization Model in the light of Bio-Inspired Molecular Water Oxidation Catalysts”, 6th Symposium on Advanced Biological Inorganic Chemistry (SABIC) 2024, January 07 – 11, 2024, Indian Association for the Cultivation of Science (IACS), Kolkata, India (Poster).

  12. M. P. Sarmah and M. Sarma*, “Impact of Electron Attachment to Guanosine in the Presence of Amino Acid”, 17th DAE‐BRNS Biennial Trombay Symposium on Radiation & Photochemistry (TSRP-2024), January 07 – 11, 2024, Bhabha Atomic Research Centre, Mumbai, India (Poster).

  13. S. Kumar and M. Sarma*, “Investigation of Dissociative Electron Attachment to Halogenated 2´-deoxycytidine-3´-monophosphate”, Theoretical Chemistry Symposium (TCS) 2023, December 07 – 10, 2023, Indian Institute of Technology (IIT) Madras, Chennai, India (Poster).

  14. R. R. Changmai and M. Sarma*, “Atmospheric Oxidation of HCFC-234fb initiated by •OH-Radical and Cl-atom”, Theoretical Chemistry Symposium (TCS) 2023, December 07 – 10, 2023, Indian Institute of Technology (IIT) Madras, Chennai, India (Poster).

  15. B. Medhi and M. Sarma*, “Decoding Fulgide Photochromism: Computational Perspectives on Mechanistic Understanding”, Theoretical Chemistry Symposium (TCS) 2023, December 07 – 10, 2023, Indian Institute of Technology (IIT) Madras, Chennai, India (Poster).

  16. M. Sarma and M. Sarma*, “Investigating the Dynamic and Electronic Properties of Oligo-Glycine as a Tetrahedral Anion Receptor”, Theoretical Chemistry Symposium (TCS) 2023, December 07 – 10, 2023, Indian Institute of Technology (IIT) Madras, Chennai, India (Poster).

  17. U. Nath and M. Sarma*, “Insight into the Surface Oxygen Functionalized B2S2 Monolayer for NO and NO2 Detection”, Theoretical Chemistry Symposium (TCS) 2023, December 07 – 10, 2023, Indian Institute of Technology (IIT) Madras, Chennai, India (Poster).

  18. N. Keot and M. Sarma*, “Dynamic Properties and Magnetic Characterization of Seven-Coordinate Mn(II) Complexes for their Application in Magnetic Resonance Imaging and Single Molecule Magnets”, Theoretical Chemistry Symposium (TCS) 2023, December 07 – 10, 2023, Indian Institute of Technology (IIT) Madras, Chennai, India (Poster).

  19. B. Lama and M. Sarma*, “Hot Exciton Behavior in Green Fluorescent Protein (GFP) Chromophore Analogue via Nonadiabatic Dynamics”, Theoretical Chemistry Symposium (TCS) 2023, December 07 – 10, 2023, Indian Institute of Technology (IIT) Madras, Chennai, India (Poster).

  20. N. Keot and M. Sarma*, “Role of Lanthanide Based Complexes and Transition Metals in Magnetic Resonance Imaging (MRI) and Single Molecule Magnets (SMMs)”, Theoretical Chemistry Symposium (TCS) 2023, December 07 – 10, 2023, Indian Institute of Technology (IIT) Madras, Chennai, India (Invited Talk).

  21. U. Nath and M. Sarma*, “Chemical Sensing via Atomically Modified 2D Materials”, 26th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXVI), October 14 – 20, 2023, Jaipur, Rajasthan, India (Invited Talk).

  22. S. Kumar and M. Sarma*, “Low-Energy Electron Attachment to Citric Acid: A Mixed Electronic Structure and Quantum Dynamics Study”, 6th International Conference on Molecular Simulation (ICMS 2023), October 06 – 09, 2023, National Taiwan University, Taipei, Taiwan (Poster).

  23. H. P. Bhattacharyya and M. Sarma*, “Developing a Model to Theoretically Assess the Turnover Frequency in the Light of Collision Theory”, 6th International Conference on Molecular Simulation (ICMS 2023), October 06 – 09, 2023, National Taiwan University, Taipei, Taiwan (Oral Talk).

  24. U. Nath and M. Sarma*, “First Principle Investigation of Pyridinic N-doped Graphene as a Potential SO2 Gas Sensor”, Graphene 2023, June 27 – 30, 2023, The University of Manchester, Manchester, United Kingdom (Poster).

  25. H. K. Singh and M. Sarma*, “A Molecular Dynamics Perspective on Interaction between Amino Acid functionalized Perylenediimide and Amyloid-β fibrils”, Frontiers in Chemical Sciences (FICS) 2022, December 02 – 04, 2022, Indian Institute of Technology (IIT) Guwahati, Guwahati, India.

  26. R. R. Changmai and M. Sarma*, “Tropospheric Oxidation of CFC-alternatives Initiated by OH-Radical: A Computational Perspective”, Frontiers in Chemical Sciences (FICS) 2022, December 02 – 04, 2022, Indian Institute of Technology (IIT) Guwahati, Guwahati, India.

  27. P. Kalita, B. Medhi, H. K. Singh, H. P. Bhattacharyya, N. Gupt, and M. Sarma*, “Probing the Effects of Electron Withdrawing and Donating Substituents in gauche-1,3-Butadiene to Bicyclobutane Electrocyclization”, Recent Advances in Chemistry: Theoretical and Computational Aspects (RAC:TCA) 2022, November 18 – 20, 2022, National Institute of Technology Meghalaya (NIT), Shillong, India (Poster).

  28. U. Nath and M. Sarma*, “Temperature-Dependent NO Adsorption and Desorption in N-doped Graphene Monolayer”, Recent Advances in Chemistry: Theoretical and Computational Aspects (RAC:TCA) 2022, November 18 – 20, 2022, National Institute of Technology Meghalaya (NIT), Shillong, India (Poster).

  29. U. Nath and M. Sarma*, “Pyridinic Nitrogen-Doped Graphene as an Efficient Sensor for SO2 Detection: A Computational Perspective”, Recent Advances in Chemistry: Theoretical and Computational Aspects (RAC:TCA) 2022, November 18 – 20, 2022, National Institute of Technology Meghalaya (NIT), Shillong, India (Invited Talk).

  30. M. Sarma and M. Sarma*, “Molecular Recognition of Arsenite Towards Peptide Receptor: A Theoretical Investigation”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2022, November 10 – 13, 2022, Malpe, Karnataka, India (Poster).

  31. N. Keot and M. Sarma*, “Computational Evaluation of Structural, Bonding and Water Exchange Kinetics of Bis and Tris-aquated Complexes of Lanthanides”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2022, November 10 – 13, 2022, Malpe, Karnataka, India (Poster).

  32. R. R. Changmai and M. Sarma*, “Theoretical Studies on the Kinetics, Mechanism and Atmospheric Implications of the Gas-Phase Reaction of Dichlorotetrafluoropropene (CF3CF=CCl2) Initiated by OH radical”, Current Trends in Theoretical Chemistry – 2022 (CTTC-2022), September 22 – 24, 2022, Bhabha Atomic Research Centre, Mumbai, India (Poster).

  33. U. Nath and M. Sarma*, “Computational Investigation of Pyridinic Dominance Graphene as Sensor for Oxide-Containing Triatomic Gas Molecules”, Current Trends in Theoretical Chemistry – 2022 (CTTC-2022), September 22 – 24, 2022, Bhabha Atomic Research Centre, Mumbai, India (Poster).

  34. B. Lama and M. Sarma*, “Ultrafast Excited-State Intermolecular and Intermolecular Proton Transfer (ESIPT) Mechanism in Sulfonamide Analogues of GFP: A Theoretical Investigation”, Current Trends in Theoretical Chemistry – 2022 (CTTC-2022), September 22 – 24, 2022, Bhabha Atomic Research Centre, Mumbai, India (Poster).

  35. M. Sarma*, “Excited-State Structural Events on the Dual Emissive Behavior of Green Fluorescent Protein (GFP) Chromophore Analogue: A Theoretical Investigation”, Current Trends in Theoretical Chemistry – 2022 (CTTC-2022), September 22 – 24, 2022, Bhabha Atomic Research Centre, Mumbai, India (Invited Talk).

  36. H. K. Singh, H. P. Bhattacharyya, B. Lama, N. Keot, U. Nath, M. Sarma, B. Medhi, R. R. Changmai, and M. Sarma*, “Computational Exploration of Anti-Influenza Drugs as the Potential Inhibitor of SARS-CoV-2 Mpro: A Combined Docking and Molecular Dynamics Simulations Study”, The International Society of Quantum Biology and Pharmacology (ISQBP) 2022 President’s Meeting, July 11 – 14, 2022, Offline and Online Meeting, Innsbruck, Austria (Poster).

  37. M. Sarma*, “Effect of Electron Withdrawing and Electron Donating Groups in the Investigation of Dissociative Electron Attachment Cross – Section to Some Biomolecules”, 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC) 2020, July 03 – 08, 2022, The University of British Columbia, Vancouver, Canada (Invited Talk).

  38. H. P. Bhattacharyya and M. Sarma*, “Developing a Strategy for Predicting “Turning Over” of Catalysts: An ab initio Insights with Mononuclear Ruthenium-Catalyzed Water Oxidation Reaction”, Theoretical Chemistry Meeting: Structure and Dynamics-2022 (TCMSD-2022), May 26 – 29, 2022, Indian Association for the Cultivation of Science (IACS), Kolkata, India (Invited Talk).

  39. R. R. Changmai and M. Sarma*, “Atmospheric Degradation of CFC-Alternatives Initiated by OH-Radical: A Computational Study of the Reaction Mechanisms, Kinetic Studies, and Atmospheric Implications”, North-East Research Conclave, May 20 – 22, 2022, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Poster).

  40. B. Medhi and M. Sarma*, “Effects of Substitution on Reaction Dynamics at the Conical Intersections of Cyclohexadiene Molecule”, North-East Research Conclave, May 20 – 22, 2022, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Poster).

  41. M. Sarma and M. Sarma*, “Binding Affinity of Arsenite towards Amide Based Systems: A Theoretical Investigation”, North-East Research Conclave, May 20 – 22, 2022, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Poster).

  42. U. Nath and M. Sarma*, “Pyridinic Dominance Graphene as an Efficient and Selective Gas-Sensor Toward SO2 Detection”, North-East Research Conclave, May 20 – 22, 2022, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Poster).

  43. N. Keot and M. Sarma*, “Understanding the Structural Properties and Water Exchange Rate of two Bis and Tris-aquated Complexes of Lanthanide: A Computational Study”, North-East Research Conclave, May 20 – 22, 2022, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Poster).

  44. H. P. Bhattacharyya and M. Sarma*, “Assessing the Efficiency for Water Splitting Reaction: A Step Towards Sustainable Development”, North-East Research Conclave, May 20 – 22, 2022, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Oral Talk).

  45. H. K. Singh and M. Sarma*, “Computational Exploration of Noncovalent Interactions: From Supramolecular Host-Guest Complexes to Protein-Ligand Systems”, Advances in Sustainable Chemistry and Material Science-2022 (ASCMS-2022), April 29 – 30, 2022, Bodoland University, Kokrajhar, India (Invited Talk).

  46. R. R. Changmai and M. Sarma*, “Atmospheric Chemistry of Chlorofluorocarbon with Hydroxyl Radical: A Computational Investigation”, Theoretical Chemistry Symposium (TCS) 2021, December 11 – 14, 2021, Online, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (Poster).

  47. B. Medhi and M. Sarma*, “Effects of Substitution on Reaction Dynamics at the Conical Intersections of Cyclohexadiene Molecule”, Theoretical Chemistry Symposium (TCS) 2021, December 11 – 14, 2021, Online, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (Poster).

  48. M. Sarma and M. Sarma*, “Structural and Conformational Correlation for Tetra-peptide Chain of Glycine: A Theoretical Investigation”, Theoretical Chemistry Symposium (TCS) 2021, December 11 – 14, 2021, Online, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (Poster).

  49. U. Nath and M. Sarma*, “Role of Vacancy on Electronic and Magnetic Properties of Pyridinic N-doped Graphene”, Theoretical Chemistry Symposium (TCS) 2021, December 11 – 14, 2021, Online, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (Poster).

  50. N. Keot and M. Sarma*, “Computational Investigation on Water Exchange Rates and Stability of Lanthanide-based MRI Contrasting Agent”, Theoretical Chemistry Symposium (TCS) 2021, December 11 – 14, 2021, Online, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (Poster).

  51. B. Lama and M. Sarma*, “Theoretical and Computational Investigation on Dual Fluorescence Mechanism of Green Fluorescent Protein (GFP)-like Chromophore”, Theoretical Chemistry Symposium (TCS) 2021, December 11 – 14, 2021, Online, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (Poster).

  52. H. P. Bhattacharyya and M. Sarma*, “Assessing the Efficiency with ECM Strategy: A Case Study to Artificial Water Splitting Reaction”, Theoretical Chemistry Symposium (TCS) 2021, December 11 – 14, 2021, Online, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (Poster).

  53. H. K. Singh and M. Sarma*, “Computational Investigation on the Nature of Host-Guest Interactions in PAHs-Hexacationic Cage Complexes”, Theoretical Chemistry Symposium (TCS) 2021, December 11 – 14, 2021, Online, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (Poster).

  54. H. P. Bhattacharyya and M. Sarma*, “Roadmap for Designing the Strategy to Mimic the Experimental Turnover Numbers: A Case Study to Artificial Water Splitting Reaction”, 57th Symposium on Theoretical Chemistry, September 20 – 24, 2021, Online, University of Würzburg, Germany (Poster).

  55. H. K. Singh and M. Sarma*, “Computational Investigation of the Noncovalent Interactions in Ditopic Receptor Host and its Complex Formation with a Benzene Metabolite Resorcinol Molecule”, 57th Symposium on Theoretical Chemistry, September 20 – 24, 2021, Online, University of Würzburg, Germany (Poster).

  56. M. Sarma*, “Effect of Resonance Width in the Investigation of Dissociative Electron Attachment Cross – Section to Some Bio Molecules”, The International Society of Quantum Biology and Pharmacology (ISQBP) 2021 President’s Meeting, June 29 – July 01, 2021, Online Meeting, Strasbourg, France (Poster).

  57. U. Nath and M. Sarma*, “Adsorption of Individual CO Gas Molecule on Graphene: A Computational Investigation”, 57th Annual Convention of Chemists, 2020 & International Conference on Recent Trends in Chemical Sciences (RTCS) 2020, December 26 – 29, 2020, Online, India (Poster).

  58. N. Keot and M. Sarma*, “Computational Investigation on Water Exchange Rates of different Stereo-isomers of Lanthanides Complexes”, 57th Annual Convention of Chemists, 2020 & International Conference on Recent Trends in Chemical Sciences (RTCS) 2020, December 26 – 29, 2020, Online, India (Poster).

  59. B. Lama and M. Sarma*, “Theoretical and Computational Investigation of the Excited State Dynamics of the Green Fluorescent Protein and its variants”, 57th Annual Convention of Chemists, 2020 & International Conference on Recent Trends in Chemical Sciences (RTCS) 2020, December 26 – 29, 2020, Online, India (Poster).

  60. H. P. Bhattacharyya and M. Sarma*, “Molecular Water Oxidation Catalyst(s): An Approach for Predicting the Efficiency”, 57th Annual Convention of Chemists, 2020 & International Conference on Recent Trends in Chemical Sciences (RTCS) 2020, December 26 – 29, 2020, Online, India (Oral Talk).

  61. M. Sarma*, “Density Functional Theory in Electron-Molecule Scattering with an Application to Biomolecules”, New Horizons in Density Functional Theory Faraday Discussion, September 02 – 04, 2020, Online, United Kingdom (Poster).

  62. K. Talukdar and M. Sarma*, “Determination of Vertical Attachment Energy of 2′-deoxy Adenosine-3′-Monophosphate using Restricted and Unrestricted Hartree-Fock Method with the 6-31+G(d) as the Basis Set”, International e – Poster Conference on Current Outlook in Material Science and Engineering 2020 (COMSE – 2k20), May 15 – 16, 2020, Facebook, India (Poster).

  63. H. P. Bhattacharyya and M. Sarma*, “Prediction of Efficiency of Photocatalyst(s) in Water Splitting: A Computational Study”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2020, February 20 – 23, 2020, Kumbhalgarh, Rajasthan, India (Poster).

  64. H. K. Singh and M. Sarma*, “Analysing the Noncovalent Interactions between the Ditopic Receptor Host and Guest Benzene Metabolite Molecules through Density Functional Theory (DFT) Calculation”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2020, February 20 – 23, 2020, Kumbhalgarh, Rajasthan, India (Poster).

  65. M. Sarma*, “Theoretical Chemistry: An Interplay between Structure and Dynamics”, Emerging Trends in Chemical Sciences (ETCS) 2020, February 13 – 15, 2020, Gauhati University, Guwahati, India (Invited Talk).

  66. H. P. Bhattacharyya and M. Sarma*, “Efficiency of a Photocatalyst: A Computational Investigation”, Recent Advances in Chemistry (RAC) 2019, October 14 – 15, 2019, National Institute of Technology (NIT) Meghalaya, Shillong, India (Poster).

  67. H. K. Singh and M. Sarma*, “DFT Studies on the Interaction between the Ditopic Receptor and Benzene Metabolites”, Recent Advances in Chemistry (RAC) 2019, October 14 – 15, 2019, National Institute of Technology (NIT) Meghalaya, Shillong, India (Poster).

  68. M. Sarma*, “Interplay between Structure and Dynamics”, Recent Advances in Chemistry (RAC) 2019, October 14 – 15, 2019, National Institute of Technology (NIT) Meghalaya, Shillong, India (Invited Talk).

  69. H. P. Bhattacharyya and M. Sarma*, “Theoretical Investigation of Efficiency of a Photo Catalyst in Water Splitting”, Mechanistic Processes in Organometallic Chemistry Faraday Discussion 2019, September 02 – 04, 2019, University of York, United Kingdom (Poster).

  70. H. K. Singh and M. Sarma*, “Investigation of the Interaction of the Different Groups Modulated Galantamine Drug with Acetyl Cholinesterase by Molecular Docking and Oniom Model”, Theoretical Chemistry Symposium (TCS) 2019, February 13 – 16, 2019, Birla Institute of Technology and Science (BITS), Pilani, India (Poster).

  71. M. Sarma*, “Implementation of Local Complex Potential based Time Dependent Wave Approach in Electron Induced Chemistry”, Theoretical Chemistry Symposium (TCS) 2019, February 13 – 16, 2019, Birla Institute of Technology and Science (BITS), Pilani, India (Invited Talk).

  72. R. Bhaskaran and M. Sarma*, “Investigation of Dissociative Electron Attachment Cross – Section to Some Biomolecules”, Gordon Research Conference on Computational Chemistry 2018, July 22 – 27, 2018, Mount Snow, West Dover, Vermont, United States of America (Poster).

  73. M. Sarma*, “Resonances in Electron Molecule Scattering : Application to Some Bio Molecules”, National Conference on Applied Sciences, Sustainable and Evolving Technologies (ASSET) and 63rd Annual Technical Session of Assam Science Society, March 09 – 11, 2018, CIT Kokrajhar, Kokrajhar, India (Invited Talk).

  74. M. Sarma*, “Local Complex Potential Based Time Dependent Wave Packet Approach in Electron Molecule Scattering”, IACS – Conference on Electronic Structure, Spectroscopy, and Dynamics (IACS – CESSD) 2018, February 22 – 25, 2018, Indian Association for the Cultivation of Science (IACS), Kolkata, India (Invited Talk).

  75. R. Bhaskaran and M. Sarma*, “Low Energy Resonant Electron Scattering Off DNA Fragments”, Spectroscopy and Dynamics of Molecules and Clusters (SDMC) 2018, February 15 – 18, 2018, Dooars, Darjeeling, India (Invited Talk).

  76. R. Bhaskaran and M. Sarma*, “Electron Induced Chemistry : Application to Some Bio Molecules”, MKM Mini Symposium, October 31, 2017, Department of Chemistry, Indian Institute of Technology (IIT) Bombay, Mumbai, India (Invited Talk).

  77. R. Bhaskaran and M. Sarma*, “Low Energy Electron Induced Damage to Selected DNA Fragments”, 4th International Conference on Physical and Theoretical Chemistry, September 18 – 19, 2017, Dublin, Ireland (Invited Talk).

  78. S. Goswami, R. Bhaskaran and M. Sarma*, “Effect of Substituents on Single Strand Breaks in a Selected DNA Fragment Induced by Low Energy Electrons”, CHEM CONVENE 17, July 25, 2017, Department of Chemistry, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Poster).

  79. M. Sarma*, “Interplay between Structure and Dynamics”, CHEM CONVENE 17, July 25, 2017, Department of Chemistry, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Invited Talk).

  80. R. Bhaskaran and M. Sarma*, “Low Energy Electron Induced Single Strand Breaks in Sugar-Phosphate-Sugar Fragment”, National Conference on Chemical Physics (NCCP) 2017, March 20 – 21, 2017, Assam University, Silchar, India (Invited Talk).

  81. R. Bhaskaran and M. Sarma*, “Low Energy Electron Induced Single Strand Breaks in 2′-deoxy Cytidine-3′-Monophosphate”, Theoretical Chemistry Symposium (TCS) 2014, December 18 – 21, 2014, National Chemical Laboratory (CSIR-NCL), Pune, India (Invited Talk).

  82. Renjith B., S. Bhowmick, M. K. Mishra, and M. Sarma*, “LEE Induced SSB in 2′-deoxy Cytidine-3′-Monophosphate Using LCP-TDWP Approach”, Theoretical Chemistry Symposium (TCS) 2012, December 19 – 22, 2012, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Poster).

  83. Renjith B., S. Bhowmick, M. K. Mishra, and M. Sarma*, “Dissociative Electron Attachment to 2′-deoxy Cytidine-3′-Monophosphate”, National Symposium on Current Trends in Computational Chemistry (CTCC) 2012, March 16 – 17, 2012, North-Eastern Hill University (NEHU), Shillong, India (Poster).

  84. Renjith B., S. Bhowmick, M. K. Mishra, and M. Sarma*, “Dissociative Electron Attachment to 2′-deoxy Cytidine-3′-Monophosphate”, 14th National Symposium in Chemistry (NSC – 14), February 03 – 05, 2012, Thiruvananthapuram, India (Poster).

  85. B. K. Shandilya, M. Sarma, S. Adhikari, and M. K. Mishra*, “Selective Control of Photodissociation in Isotopic Substituted Ozone (18O16O16O) Molecule”, National Symposium on New Horizons in Chemistry, October 03 – 04, 2011, Indian Institute of Technology (IIT) Bombay, Mumbai, India (Poster).

  86. B. K. Shandilya, M. Sarma, S. Adhikari, and M. K. Mishra*, “Selective Control of Photodissociation in Isotopic Substituted Ozone (18O16O16O) Molecule”, Conference on Molecular Energy Transfer (COMET) 2011, September 11 – 16, 2011, University of Oxford, UK (Poster).

  87. B. K. Shandilya, M. Sarma, S. Adhikari, and M. K. Mishra*, “Vibrational Excitation Resulting from Electron Capture in LUMO of F2, HCl – A Treatment Using the TDWP Approach”, Theoretical Chemistry Symposium (TCS) 2010, December 08 – 12, 2010, Indian Institute of Technology (IIT) Kanpur, Kanpur, India (Poster).

  88. M. Sarma, S. Adhikari, and M. K. Mishra*, “Some New Approaches to Photon Molecule Dynamics”, Theoretical Chemistry Symposium (TCS) 2010, December 08 – 12, 2010, Indian Institute of Technology (IIT) Kanpur, Kanpur, India (Invited Talk).

  89. Renjith B., S. Bhowmick, and M. Sarma*, “Low Energy Electron Attachment to 2'-deoxy Cytidine Monophosphate”, Theoretical Chemistry Symposium (TCS) 2010, December 08 – 12, 2010, Indian Institute of Technology (IIT) Kanpur, Kanpur, India (Poster).

  90. B. K. Shandilya, M. Sarma, S. Adhikari, and M. K. Mishra*, “Vibrational Excitation Resulting from Electron Capture in LUMO of F2, HCl – A Treatment Using the TDWP Approach”, Frontiers in Chemical Sciences (FICS) 2010, December 03 – 04, 2010, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Poster).

  91. Renjith B., S. Bhowmick, and M. Sarma*, “Low Energy Electron Attachment to Cytidine Monophosphate”, Frontiers in Chemical Sciences (FICS) 2010, December 03 – 04, 2010, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Poster).

  92. B. K. Shandilya, M. Sarma, S. Adhikari, and M. K. Mishra*, “Treatment of 2Πg N2– Shape Resonance using a Two Dimensional Surface and Time Dependent Wave Packet (TDWP) Approach”, International Conference and Humboldt Kolleg, February 24 – 27, 2010, University of Lucknow and Humboldt Academy Lucknow, Lucknow, India (Poster).

  93. M. Sarma, S. Adhikari, and M. K. Mishra*, “Selective Bond Cleavage in Unimolecular Reactions: A Detailed Investigation”, International Conference and Humboldt Kolleg, February 24 – 27, 2010, University of Lucknow and Humboldt Academy Lucknow, Lucknow, India (Invited Talk).

  94. B. K. Shandilya, M. Sarma, S. Adhikari, and M. K. Mishra*, “Treatment of 2Πg N2– Shape Resonance using a Two Dimensional Surface and Time Dependent Wave Packet (TDWP) Approach”, Recent Advances in Many Electron Theories (RAMET) 2010, January 05 – 07, 2010, Shankarpur, India (Poster).

  95. B. K. Shandilya, M. Sarma, S. Adhikari, and M. K. Mishra*, “Treatment of 2Πg N2– Shape Resonance using a Two Dimensional Surface and Time Dependent Wave Packet (TDWP) Approach”, International Symposium Of Molecules and Materials (OMAM) 2009, December 28 – 29, 2009, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (Poster).

  96. B. K. Shandilya, M. Sarma, S. Adhikari, and M. K. Mishra*, “Time Dependent Wave Packet (TDWP) Treatment of 2Πg N2– Shape Resonance using a Two Dimensional Surface for Electron – N2 Interaction”, National Conference on Advances in Physical and Theoretical Chemistry, March 18 – 19, 2009, Department of Chemistry, University of Calicut, Kerala, India (Poster).

  97. M. Sarma, S. Adhikari, and M. K. Mishra*, “Mechanistic Analysis of Vibrational Excitation Fine Structures in e–H2 Scattering”, Discussion Meeting on Theoretical Chemistry Symposium, January 18 – 22, 2009, Solid State and Structural Unit, Indian Institute of Science (IISc) Bangalore, Bangalore, India (Poster).

  98. M. Sarma, S. Adhikari, and M. K. Mishra*, “Some New Approaches to Photon Molecule Dynamics”, National Symposium on Quantum Chemistry, April 04 – 05, 2008, Indian Association for the Cultivation of Science (IACS), Kolkata, India (Poster).

  99. M. Sarma, R. K. Singh, and M. K. Mishra*, “Treatment of Vibrational Excitation Cross – sections in e – N2, e – H2 and e – CO Scattering Using a New Implementation of the TDWP Approach”, Singapore International Chemistry Conference 5, December 16 – 19, 2007, Singapore (Invited Talk).

  100. M. Sarma, R. K. Singh, and M. K. Mishra*, “Local Complex Potential Based Time Dependent Wave Packet Approach to Calculation of Vibrational Excitation Cross – sections in e – N2, e – H2 and e – CO Scattering”, AIP Conf. Proc. 963, 227–230 (2007) on International Conference of Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Volume 2, Parts A and B, September 25 – 30, 2007, Corfu, Greece (Invited Talk).

  101. M. Sarma, S. Adhikari, and M. K. Mishra*, “Photodynamic Control: A New Perspective”, National Symposium on Computational Chemistry, December 14 – 15, 2006, Mar Ivanios College, Thiruvananthapuram, India (Invited Talk).

  102. M. Sarma, S. Adhikari, and M. K. Mishra*, “Vibrationally Mediated Control of HOD Photodissociation”, National Symposium on Computational Chemistry, December 14 – 15, 2006, Mar Ivanios College, Thiruvananthapuram, India (Poster).

  103. M. Sarma, S. Adhikari, and M. K. Mishra*, “Calculations of Vibrational Excitation Cross – section for Resonant Electron – Molecule Scattering in the Boomerang and Impulse Models”, Theoretical Chemistry Symposium (TCS) 2006, December 11 – 13, 2006, Bharthidashan University, Tiruchirappalli, India (Invited Talk).

  104. M. Sarma, S. Adhikari, and M. K. Mishra*, “Investigation and Control of HOD Photodissociation”, Theoretical Chemistry Symposium (TCS) 2006, December 11 – 13, 2006, Bharthidashan University, Tiruchirappalli, India (Poster).

  105. M. Sarma, P. Ahuja, S. Adhikari, and M. K. Mishra*, “Photodynamic Control of Chemical Reactions: Application to HOD”, In House Symposium, August 19, 2006, Chemistry Department, Indian Institute of Technology (IIT) Bombay, Mumbai, India (Oral Talk).

  106. M. Sarma, P. Ahuja, S. Adhikari, and M. K. Mishra*, “Preferential Dissociation of O-D Bond in HOD Using Simple IR+UV Pulse”, Discussion Meeting on Spectroscopy and Dynamics of Molecules & Clusters (SDMC), March 30 – April 01, 2006, International Center, Goa, India (Poster).

  107. M. Sarma, P. Ahuja, S. Adhikari, and M. K. Mishra*, “Selective Control of Photodissociation in HOD”, Current Developments in Atomic, Molecular and Chemical Physics with Applications, March 21 – 23, 2006, Physics Department, Delhi University, Delhi, India (Poster).

  108. M. Sarma, P. Ahuja, S. Adhikari, and M. K. Mishra*, “Preferential Dissociation of O-D bond in HOD using simple IR+UV pulse”, 47th Sanibel Symposium, February 27 – March 03, 2006, St. Simons Island, Georgia, United States of America (Poster).

  109. M. Sarma, S. Adhikari, and M. K. Mishra*, “Selective Control of HOD Photodissociation”, Symposium on Laser Induced Dynamics in Nano-materials and Elementary Reactions, February 13 – 14, 2006, Indian Institute of Technology (IIT) Guwahati, Guwahati, India (Invited Talk).

  110. M. Sarma, P. Ahuja, S. Adhikari, and M. K. Mishra*, “New Scenarios for Vibrationally Mediated Selective Control of Bond Cleavage in HOD”, 8th Chemical Research Society of India – National Symposium in Chemistry, February 03 – 05, 2006, Indian Institute of Technology (IIT) Bombay, Mumbai, India (Poster).

  111. M. Sarma, S. Adhikari, and M. K. Mishra*, “FOIST based Control of HOD Photodissociation”, XV National Conference on Atomic and Molecular Physics, December 20 – 23, 2004, Physical Research Laboratory, Ahmedabad, India (Invited Oral Talk).

  112. M. Sarma, S. Adhikari, and M. K. Mishra*, “FOIST based Control of HOD Photodissociation”, Theoretical Chemistry Symposium (TCS) 2004, December 09 – 12, 2004, Bhabha Atomic Research Centre, Mumbai, India (Poster).