Ms. Ankita Agarwal

Full-Time Scholar
p19ch005@nitm.ac.in | ankita17nil223@gmail.com
9435544209
Area of Research : Post transition state direct dynamics in gas and condensed phase.
Experience :

1. . 2019-2020: Physical Chemistry laboratory classes as TA duty.
2.  2020-2021: Inorganic Chemistry laboratory classes as TA duty.
3. 2019-2023: Computational Chemistry laboratory classes as TA duty.

Conference Attended :

1. Recent Trends in Chemical Sciences (RTCS-2017) October 12-13, NIT Meghalaya, Shillong, 2017.
2. National Conference on Recent Advances in Chemistry (RAC-2019), October 14 -15, NIT Meghalaya, Shillong, 2019.
3. 11-Days International Workshop on Supporting Chemistry Research with modern DFT (Density Functional Theory): Software, Techniques, and Applications”, February 5-15, Sankalchand Patel University, 2021.
4. One-Day Seminar on Theoretical and Computational Chemistry (STCC-2021), March 13, NIT Meghalaya, Shillong, 2021.
5. International Conference on “Spectroscopy and Dynamics of Molecules and Clusters (SDMC-2022), November 10-13, TIFR Hyderabad, Malpe, 2022.
6. National Conference on “Recent Advances in Chemistry: Theoretical and Computational Aspects” (RAC-TCA 2022), November 18 -20, NIT Meghalaya-NEHU, 2022.
7. International Conference on “Emerging Trends in Chemical Sciences (ETCS-2023), March 2-4, NEHU, 2023.
8. National Conference “Research Conclave” 2021, 2022, 2023, NIT Meghalaya, Shillong.

Publications :

1. Ankita Agarwal, Palash Jyoti Boruah, Biplab Sarkar, and Amit K. Paul, Post-Transition-State Direct Dynamics Simulations on the Ozonolysis of Catechol. J. Phys. Chem. A. 2022, 126, 5314-5327. [DOI:https://doi.org/10.1021/acs.jpca.2c04028].
2. Ankita Agarwal, A. K. Paul, Details of Ozonolysis of Catechol at High Temperature and Product Energy Distribution, J. Chem. Sci. 2023, 135:33. [DOI:https://doi.org/10.1007/s12039-023-02152-7].
3. Ankita Agarwal, Palash Jyoti Boruah, Sk. Samir Ahamed, Shrutimala Baruah, and Amit Kumar Paul, Post-Transition State Direct Dynamics Simulations on the Ozonolysis of Catechol in an N2 Bath and Comparison with Gas-Phase Results. J. Phys. Chem. A. 2023, 127, 6804-6815. [DOI:https://doi.org/10.1021/acs.jpca.3c03326].
4. Ankita Agarwal, and Amit K. Paul, Details of Exit Channel Dynamics of the Ozonolysis of Catechol in Condensed Phase: Product Channels and Product Energy Partitioning. Chemical Physics Impact. 2024, 8, 100440. [DOI:https://doi.org/10.1016/j.chphi.2023.100440].
5. Ankita Agarwal, and Amit K. Paul, Exploring the Competition between Energy Transfer and Reaction Rate in Post-TS Dynamics of Catechol's Ozonolysis, communicated(2024)
6. Palash Jyoti Boruah, Moumita Debnath, Ankita Agarwal, Gitumoni Kalita, Paresh Nath Chatterjee, and Amit Kumar Paul, A Theoretical Investigation to Understand the Difference in Reactivities of Secondary and Tertiary Propargylic Alcohols with 1,3,5-Trimethoxybenzene in Presence of Brnøsted Acid, Manuscript under review in Int. J. Chem. Kin. (2024).

Awards & Achievements :

1. 2018:    INSA-FAST-SF summer fellowship for two months at IISc, Bangalore under the guidance of Prof. Akhil Ranjan Chakravarty.
2. 2019:   Qualified GATE
3. 2019:   Qualified State Eligibility Test (SLET-2019), conducted by the SLET Commission Assam.
4. 2023:   Best Poster award at the International Conference on “Emerging Trends in Chemical Sciences”, ETCS-2023, organized by NEHU, Shillong.