| Interplay between conjugation and size-driven delocalization leads to characteristic properties of substituted thymines MA Manae, A Hazra The Journal of Physical Chemistry A 121 (42), 8147-8153, 2017 | 12 | 2017 |
| Triplet Decay Dynamics in Sulfur-Substituted Thymine: How Position of Substitution Matters MA Manae, A Hazra The Journal of Physical Chemistry A 123 (51), 10862-10867, 2019 | 11 | 2019 |
| Activation of CO 2 and CH 4 on MgO surfaces: mechanistic insights from first-principles theory MA Manae, L Dheer, S Rai, S Shetty, UV Waghmare Physical Chemistry Chemical Physics 24 (3), 1415-1423, 2022 | 10 | 2022 |
| A MASH simulation of the photoexcited dynamics of cyclobutanone JE Lawrence, IM Ansari, JR Mannouch, MA Manae, K Asnaashari, A Kelly, ... The Journal of Chemical Physics 160 (17), 2024 | 9 | 2024 |
| Helping Students Understand the Role of Symmetry in Chemistry Using the Particle-in-a-Box Model MA Manae, A Hazra Journal of Chemical Education 93 (6), 1056-1060, 2016 | 6 | 2016 |
| CO2 Utilization Through its Reduction to Methanol: Design of Catalysts Using Quantum Mechanics and Machine Learning MA Manae, L Dheer, UV Waghmare Transactions of the Indian National Academy of Engineering 7 (1), 1-11, 2022 | 5 | 2022 |
| The curious case of aqueous warfarin: structural isomers or distinct excited states? SS Sakpal, D Ghosh, MA Manae, A Hazra, S Bagchi The Journal of Physical Chemistry B 125 (11), 2871-2878, 2021 | 4 | 2021 |
| Quantum effects in photosensitization: the case of singlet oxygen generation by thiothymines MA Manae, A Hazra Physical Chemistry Chemical Physics 24 (21), 13266-13274, 2022 | 2 | 2022 |
| Reactivity of N-heterocyclic carbene, 1, 3-bis (2, 6-diisopropylphenyl) imidazol-2-ylidene, towards heavier halogens (Br2 and I2) S Pal, MA Manae, VV Khade, S Khan J. Indian Chem. Soc 95, 765-770, 2018 | 2 | 2018 |
| Using Instanton Theory to Study Quantum Effects in Photosensitization MA Manae, JO Richardson Chimia 78 (4), 231-233, 2024 | 1 | 2024 |
| Graphical Representation of Hydrogenic Orbitals: Incorporating Both Radial and Angular Parts of the Wave Function MA Manae, A Hazra Journal of Chemical Education 96 (1), 187-190, 2018 | 1 | 2018 |
| Temperature-Dependent Mechanistic Control of Nonadiabatic Tunnelling in Triplet Carbenes MA Manae, JO Richardson | | 2025 |
| Electrostatically tunable interaction of CO 2 with MgO surfaces and chemical switching: first-principles theory A Sen, AK Narsaria, MA Manae, S Shetty, UV Waghmare Physical Chemistry Chemical Physics 26 (6), 5333-5343, 2024 | | 2024 |
| Synergistic Role of Substitutional Au and S-Vacancies in MoS2 in Catalyzing Direct Synthesis of Hydrogen Peroxide: First-Principles Analysis L Dheer, MA Manae, UV Waghmare The Journal of Physical Chemistry C 127 (37), 18389-18396, 2023 | | 2023 |
| Photophysics and Photosensitizing Mechanism of Thiothymines Investigated Using Multi-Reference Quantum Chemistry MA MANAE Dept. of Chemistry, 2019 | | 2019 |
Anirban HazraAssociate Professor of Chemistry, Indian Institute of Science Education and Research PuneEmail được xác minh tại iiserpune.ac.in