How plausible Is getting ferromagnetic Interactions by coupling Blatter’s radical via its fused benzene ring? R Khurana, A Bajaj, ME Ali The Journal of Physical Chemistry A 124 (33), 6707-6713, 2020 | 16 | 2020 |
First-principles investigations of magnetic anisotropy and spin-crossover behavior of Fe (III)–TBP complexes R Khurana, S Gupta, ME Ali The Journal of Physical Chemistry A 125 (10), 2197-2207, 2021 | 15 | 2021 |
Single-Molecule Magnetism in Linear Fe (I) Complexes with Aufbau and Non-Aufbau Ground States R Khurana, ME Ali Inorganic Chemistry 61 (39), 15335-15345, 2022 | 13 | 2022 |
Quantum interference and spin filtering effects in photo-responsive single molecule devices A Bajaj, R Khurana, ME Ali Journal of Materials Chemistry C 9 (34), 11242-11251, 2021 | 13 | 2021 |
Harnessing Colossal Magnetic Anisotropy in Sandwiched 3d2-Metallocenes S Nain, R Khurana, ME Ali The Journal of Physical Chemistry A 126 (18), 2811-2817, 2022 | 12 | 2022 |
Tuning the magnetic properties of a diamagnetic di-Blatter's zwitterion to antiferro-and ferromagnetically coupled diradicals R Khurana, A Bajaj, ME Ali Physical Chemistry Chemical Physics 24 (4), 2543-2553, 2022 | 11 | 2022 |
Auxiliary atomic relay center facilitates enhanced magnetic couplings in Blatter’s radical A Bajaj, R Khurana, ME Ali The Journal of Physical Chemistry A 125 (19), 4133-4142, 2021 | 11 | 2021 |
High-Spin Blatter’s Triradicals R Khurana, A Bajaj, KR Shamasundar, ME Ali The Journal of Physical Chemistry A 127 (37), 7802-7810, 2023 | 6 | 2023 |
semiaza-Bambusurils are anion-specific transmembrane transporters R Khurana, F Yang, R Khurana, J Liu, E Keinan, O Reany Chemical Communications 58 (19), 3150-3153, 2022 | 6 | 2022 |
Coalescing solar-to-chemical and carbon circular economy: mediated by metal-free porphyrin and triazine-based porous organic polymer under natural sunlight N Saini, N Sharma, DK Chauhan, R Khurana, ME Ali, K Kailasam Journal of Materials Chemistry A 11 (46), 25743-25755, 2023 | 5 | 2023 |
Tuning the Magnetic Properties of Diamagnetic Di-Blatter’s Zwitterion to Antiferro-and Ferromagnetic Diradical R Khurana, A Bajaj, ME Ali | 2 | 2021 |
Unveiling the Redox Noninnocence of Metallocorroles: Exploring K-Edge X-ray Absorption Near-Edge Spectroscopy with a Multiconfigurational Wave Function Approach R Khurana, C Liu The Journal of Physical Chemistry Letters 15 (44), 10985-10995, 2024 | 1 | 2024 |
Quantum Spin Transport through Blatter’s Di-and Tri-Radicals A Bajaj, S Ali, R Khurana, ME Ali | | 2024 |
Exploring the Computational Aspects of Propylene Oligomerization Catalysis Using M′2M Type Trimetallic MOF Nodes R Khurana, V Agarawal, C Liu The Journal of Physical Chemistry C 128 (40), 16986-16995, 2024 | | 2024 |
Recent advances in X-ray absorption near edge structure (XANES) simulations for catalysis: Theories and applications J Xu, YL Kim, R Khurana, S Havenridge, P Patel, C Liu Annual Reports in Computational Chemistry 20, 157-187, 2024 | | 2024 |
Quantum Interference and Spin Filtering Effects in Photo-responsive Endoperoxide Based Single Molecular Device A Bajaj, R Khurana, ME Ali | | 2021 |