Theoretical rationalization of self-assembly of cellulose nanocrystals: effect of surface modifications and counterions M Garg, M Linares, I Zozoulenko Biomacromolecules 21 (8), 3069-3080, 2020 | 36 | 2020 |
Moisture uptake in nanocellulose: the effects of relative humidity, temperature and degree of crystallinity M Garg, V Apostolopoulou-Kalkavoura, M Linares, T Kaldéus, ... Cellulose 28, 9007-9021, 2021 | 33 | 2021 |
A novel supra coarse-grained model for cellulose AY Mehandzhiyski, N Rolland, M Garg, J Wohlert, M Linares, ... Cellulose 27, 4221-4234, 2020 | 32 | 2020 |
Humidity-dependent thermal boundary conductance controls heat transport of super-insulating nanofibrillar foams V Apostolopoulou-Kalkavoura, S Hu, N Lavoine, M Garg, M Linares, ... Matter 4 (1), 276-289, 2021 | 29 | 2021 |
New patchy particle model with anisotropic patches for molecular dynamics simulations: Application to a coarse-grained model of cellulose Nanocrystal N Rolland, AY Mehandzhiyski, M Garg, M Linares, IV Zozoulenko Journal of chemical theory and computation 16 (6), 3699-3711, 2020 | 15 | 2020 |
Addition of P3HT-grafted Silica nanoparticles improves bulk-heterojunction morphology in P3HT-PCBM blends M Garg, V Padmanabhan Scientific Reports 6 (1), 33219, 2016 | 10 | 2016 |
Room temperature hydrogen storage in defective single-walled carbon nanotubes: A molecular dynamics study M Garg, S Ghosh, V Padmanabhan Письма о материалах 11 (3), 321-326, 2021 | 6 | 2021 |
In silico anti-viral assessment of phytoconstituents in a traditional (Siddha Medicine) polyherbal formulation–Targeting Mpro and pan-coronavirus post-fusion Spike protein SK Mandal, MDMU Rehman, A Katyal, K Rajvanshi, M Kannan, M Garg, ... Journal of Traditional and Complementary Medicine 14 (1), 55-69, 2024 | 5 | 2024 |
Poly (3-hexylthiophene)(P3HT) and Phenyl-C61-Butyric Acid Methyl Ester (PC61BM) Based Bulk Heterojunction Solar Cells Containing Silica and Titanium Dioxide Nanorods: Molecular … M Garg, V Padmanabhan Journal of Nanoscience and Nanotechnology 20 (2), 858-870, 2021 | 4 | 2021 |
Improving morphology of P3HT: PCBM bulk heterojunction solar cells with anisotropic shaped silica nanoparticles M Garg, S Ghosh, AK Shukla, SK Sharma, A Kumar, V Chopra Materials Today: Proceedings 76, 263-270, 2023 | 2 | 2023 |
Ion Diffusion through Nanocellulose Membranes: Molecular Dynamics Study M Garg, I Zozoulenko ACS Applied Bio Materials 4 (12), 8301-8308, 2021 | 2 | 2021 |
Cellulose nanocrystal dispersions conjugated with symmetric and asymmetric dialkylamine groups S Wojno, AK Sonker, M Garg, S Cooper, M Rigdahl, M Linares, ... Cellulose, 1-14, 2024 | | 2024 |
Novel Fe-doped TiO2 metal-organic framework for electrocatalytic hydrogen evolution reaction D Mishra, D Rathore, P Bansal, M Garg, S Pande, S Chatterjee Chemical Engineering Research and Design, 2024 | | 2024 |
Copper-mediated cyclization of thiosemicarbazones leading to 1, 3, 4-thiadiazoles: Structural elucidation, DFT calculations, in vitro biological evaluation and in silico … V Manakkadan, J Haribabu, VNV Palakkeezhillam, P Rasin, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 313, 124117, 2024 | | 2024 |
Unraveling the Anticancer Efficacy and Biomolecular Properties of Ru (II)-Arene Complexes of Pyrene-Based Thiosemicarbazone Ligands: A Comprehensive In Silico/In Vitro Exploration VN Vadakkedathu Palakkeezhillam, J Haribabu, VS Kumar, ... Organometallics 43 (3), 242-260, 2024 | | 2024 |
Microscopic Insights of Electrochemical Switching of Poly (benzimidazobenzophenanthroline)(BBL) Thin Film: A Molecular Dynamics Study S Sunny, S Shah, M Garg, I Zozoulenko, S Ghosh Macromolecules, 2024 | | 2024 |
Design & engineering of wood-inspired super-insulating foams N Lavoine, V Aspotolopoulou-Kalkavoura, S Hu, M Garg, M Linares, ... APS March Meeting Abstracts 2023, G13. 002, 2023 | | 2023 |
Electrocoagulation Influencing Parameters Investigation on Reactive Dyes in Textile Wastewater: A Simple Optimization Method M Garg, S Ghosh, A Kumar, V Chopra, ID Mall, S Gautam Bow Ties in Process Safety and Environmental Management, 231-246, 2021 | | 2021 |