| Dynamics and spectral response of water molecules around tetramethylammonium cation A Biswas, A Priyadarsini, BS Mallik The Journal of Physical Chemistry B 123 (41), 8753-8766, 2019 | 27 | 2019 |
| Structural and thermophysical anomalies of liquid water: A tale of molecules in the instantaneous low-and high-density regions A Priyadarshini, A Biswas, D Chakraborty, BS Mallik The Journal of Physical Chemistry B 124 (6), 1071-1081, 2020 | 22 | 2020 |
| Structure and stretching dynamics of water molecules around an amphiphilic amide from FPMD simulations: A case study of N, N-dimethylformamide A Biswas, BS Mallik Journal of Molecular Liquids 302, 112524, 2020 | 21 | 2020 |
| Distinctive behavior and two-dimensional vibrational dynamics of water molecules inside glycine solvation shell A Biswas, BS Mallik RSC advances 10 (11), 6658-6670, 2020 | 17 | 2020 |
| Ultrafast Aqueous Dynamics in Concentrated Electrolytic Solutions of Lithium Salt and Ionic Liquid A Biswas, BS Mallik The Journal of Physical Chemistry B 124 (44), 9898-9912, 2020 | 15 | 2020 |
| Conformation-induced vibrational spectral dynamics of hydrogen peroxide and vicinal water molecules A Biswas, BS Mallik Physical Chemistry Chemical Physics 23 (11), 6665-6676, 2021 | 13 | 2021 |
| Dynamics of ionic liquid through intrinsic vibrational probes using the dispersion-corrected DFT functionals A Biswas, BS Mallik The Journal of Physical Chemistry B 125 (25), 6994-7008, 2021 | 12 | 2021 |
| Conformational dynamics of aqueous hydrogen peroxide from first principles molecular dynamics simulations A Biswas, BS Mallik Physical Chemistry Chemical Physics 22 (48), 28286-28296, 2020 | 12 | 2020 |
| Microheterogeneity-Induced Vibrational Spectral Dynamics of Aqueous 1-Alkyl-3-methylimidazolium Tetrafluoroborate Ionic Liquids of Different Cationic Chain Lengths A Biswas, BS Mallik The Journal of Physical Chemistry B 126 (29), 5523-5533, 2022 | 7 | 2022 |
| Revisiting OD-stretching dynamics of methanol‑d4, ethanol-d6 and dilute HOD/H2O mixture with predefined potentials and wavelet transform spectra A Biswas, BS Mallik Chemical Physics 553, 111385, 2022 | 7 | 2022 |
| Vibrational spectral dynamics and ion-probe interactions of the hydrogen-bonded liquids in 1-ethyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide A Biswas, BS Mallik Chemical Physics 559, 111519, 2022 | 6 | 2022 |
| 2D IR spectra of the intrinsic vibrational probes of ionic liquid from dispersion corrected DFT-MD simulations A Biswas, BS Mallik Journal of Molecular Liquids 348, 118390, 2022 | 6 | 2022 |
| Direct Correlation between Short-Range Vibrational Spectral Diffusion and Localized Ion-Cage Dynamics of Water-in-Salt Electrolytes A Biswas, BS Mallik The Journal of Physical Chemistry B 127 (1), 236-248, 2022 | 5 | 2022 |
| Cohesiveness and Nondiffusive Rotational Jump Dynamics of Protic Ionic Liquid from Dispersion-Corrected FPMD Simulations A Biswas, S Dasari, BS Mallik The Journal of Physical Chemistry B 124 (47), 10752-10765, 2020 | 5 | 2020 |
| Molecular Simulation-Guided Spectroscopy of Imidazolium-Based Ionic Liquids and Effects of Methylation on Ion-Cage and-Pair Dynamics A Biswas, BS Mallik The Journal of Physical Chemistry B 126 (43), 8838-8850, 2022 | 2 | 2022 |
| Ionic Dynamics and Vibrational Spectral Diffusion of a Protic Alkylammonium Ionic Salt through Intrinsic Cationic N–H Vibrational Probe from FPMD Simulations A Biswas, BS Mallik The Journal of Physical Chemistry A 126 (31), 5134-5147, 2022 | 2 | 2022 |
| Multiple Ensembles of the Hydrogen‐bonded Network in Ethylammonium Nitrate versus Water from Vibrational Spectral Dynamics of SCN− Probe A Biswas, BS Mallik ChemPhysChem 23 (23), e202200497, 2022 | 1 | 2022 |
| A Computational Study of Structure, Dynamics, and Spectral Properties of Ionic Liquids: Wavelet Spectra as a Tool to Assess Microscopic Dynamics of Ionic Liquids A Biswas, BS Mallik Ionic Liquids - Recent Advances, 2024 | | 2024 |
Bhabani S. MallikProfessor, Department of Chemistry, Indian Institute of Technology Hyderabad在 chy.iith.ac.in 的电子邮件经过验证
