| Guanidine as a strong CO 2 adsorbent: a DFT study on cooperative CO 2 adsorption S Anila, CH Suresh Physical Chemistry Chemical Physics 23 (24), 13662-13671, 2021 | 21 | 2021 |
| Molecular electrostatic potential topology analysis of noncovalent interactions CH Suresh, S Anila Accounts of Chemical Research 56 (13), 1884-1895, 2023 | 16 | 2023 |
| Formation of large clusters of CO 2 around anions: DFT study reveals cooperative CO 2 adsorption S Anila, CH Suresh Physical Chemistry Chemical Physics 21 (41), 23143-23153, 2019 | 16 | 2019 |
| Endo-and exohedral chloro-fulleride as η 5 ligands: a DFT study on the first-row transition metal complexes S Anila, CH Suresh Physical Chemistry Chemical Physics 23 (5), 3646-3655, 2021 | 7 | 2021 |
| Imidazolium–fulleride ionic liquids–a DFT prediction S Anila, CH Suresh Physical Chemistry Chemical Physics 23 (36), 20086-20094, 2021 | 6 | 2021 |
| Nitrogen-doped fullerenes for CO 2 capture: A DFT study S Anila, CH Suresh New Journal of Chemistry 47 (6), 3047-3054, 2023 | 5 | 2023 |
| Polyanionic cyano-fullerides for CO 2 capture: a DFT prediction S Anila, CH Suresh Physical Chemistry Chemical Physics 24 (36), 22144-22153, 2022 | 4 | 2022 |
| Rh(I) and Organo-Rh(III) Complexes of meso-Triarylbiphenylcorrole S Chitranshi, B Adinarayana, M Das, S Anila, CH Suresh, A Srinivasan Inorganic Chemistry 62 (1), 336-341, 2022 | 3 | 2022 |
| Demarcating Noncovalent and Covalent Bond Territories: Imine-CO2 Complexes and Cooperative CO2 Capture S Anila, CH Suresh, HF Schaefer III The Journal of Physical Chemistry A 126 (30), 4952-4961, 2022 | 3 | 2022 |
| Studying specificity in protein–glycosaminoglycan recognition with umbrella sampling M Marcisz, S Anila, M Gaardløs, M Zacharias, SA Samsonov Beilstein Journal of Organic Chemistry 19 (1), 1933-1946, 2023 | 1 | 2023 |
| Fulleride‐metal η5 sandwich and multi‐decker sandwich complexes: A DFT prediction S Anila, CH Suresh Journal of Computational Chemistry 44 (3), 199-208, 2023 | 1 | 2023 |
| Role for Carboxylic Acid Moiety in NSAIDs: Favoring the Binding at Site II of Bovine Serum Albumin L de Carvalho Bertozo, HC Tadeu, A Sebastian, M Maszota-Zieleniak, ... Molecular Pharmaceutics 21 (5), 2501-2511, 2024 | | 2024 |
| Benchmarking Water Models in Molecular Dynamics of Protein–Glycosaminoglycan Complexes S Anila, SA Samsonov Journal of Chemical Information and Modeling 64 (5), 1691-1703, 2024 | | 2024 |
| Water models for molecular dynamics of protein-glycosaminoglycan complexes: a benchmark study A Sebastian, M Marcisz, S Samsonov Laboratory of Molecular Modeling, 2023 | | 2023 |
| Density Functional Theory Studies on Transition Metal Fulleride Complexes and CO2 Capture by Anions, Fullerides, and N-rich Molecular Systems S Anila Chemical Science and Technology Division. National Institute for …, 2022 | | 2022 |
