Molecular level deformation mechanism of ettringite PK Sarkar, N Mitra, D Prasad Cement and Concrete Research 124, 105836, 2019 | 19 | 2019 |
Intermolecular dynamics of ultraconfined interlayer water in tobermorite: influence on mechanical performance N Mitra, PK Sarkar, D Prasad Physical Chemistry Chemical Physics 21 (21), 11416-11423, 2019 | 15 | 2019 |
Intermolecular dynamics of water: suitability of reactive interatomic potential D Prasad, N Mitra, S Bandyopadhyay The Journal of Physical Chemistry B 123 (30), 6529-6535, 2019 | 9 | 2019 |
Terahertz spectroscopy of diglycidylether of bisphenol A: Experimental investigations and density functional theory based simulations PS Sindhu, D Prasad, S Peli, N Mitra, PK Datta Journal of Molecular Structure 1184, 114-122, 2019 | 9 | 2019 |
An atomistic study of phase transition in cubic diamond Si single crystal subjected to static compression D Prasad, N Mitra Computational Materials Science 156, 232-240, 2019 | 8 | 2019 |
High-temperature and high-pressure plastic phase of ice at the boundary of liquid water and ice VII D Prasad, N Mitra Proceedings of the Royal Society A 478 (2260), 20210958, 2022 | 6 | 2022 |
Silica dimerization in the presence of divalent cations D Prasad, N Mitra Physical chemistry chemical physics: PCCP 24 (35), 21308-21320, 2022 | 6 | 2022 |
Catalytic Behavior of Hydrogen Bonded Water in Oligomerization of Silicates D Prasad, N Mitra Inorganic Chemistry 62 (4), 1423-1436, 2023 | 5 | 2023 |
Stretch‐induced helix to extended coil transition of crystalline α phase isotactic polypropylene: A molecular dynamics study S Pal, N Mitra, PK Sarkar, D Prasad Polymer Crystallization 3 (4), e10143, 2020 | 4 | 2020 |
Identification of molecular vibrations associated with tacticity in polypropylene: Density functional theory‐based simulations N Mitra, D Prasad, S Banerjee Journal of Polymer Science Part B: Polymer Physics 57 (20), 1378-1385, 2019 | 2 | 2019 |
Surface Reactivity of Cementitious Crystals Alite and Belite D Prasad, N Mitra The Journal of Physical Chemistry C 126 (27), 11265-11276, 2022 | 1 | 2022 |
Noncovalent Interactions in Mechanical Response of Thermoset Epoxy Resin D Prasad, N Mitra The Journal of Physical Chemistry B 128 (10), 2537-2549, 2024 | | 2024 |
Stereomutations in silicate oligomerization: the role of steric hindrance and intramolecular hydrogen bonding D Prasad, N Mitra Physical Chemistry Chemical Physics 26 (9), 7747-7764, 2024 | | 2024 |
Hydrogen and Metal–Ligand Bonds in Swelling of Smectite Clay Minerals D Prasad, N Mitra, K Deb The Journal of Physical Chemistry C 127 (42), 20823-20837, 2023 | | 2023 |
Chemical reactivity changes in energetic crystals upon phase transformation at elevated temperature and pressure N Mitra, D Prasad Bulletin of the American Physical Society 68, 2023 | | 2023 |
Bond dissociation in polymers under shock loading N Mitra, D Prasad Bulletin of the American Physical Society 68, 2023 | | 2023 |
Evolution of Viscosity Upon Crosslinking in Epoxy Resin: An Atomistic Investigation D PRASAD, N MITRA PROCEEDINGS OF THE AMERICAN SOCIETY FOR COMPOSITES-THIRTY-EIGHTH TECHNICAL …, 2023 | | 2023 |
Anisotropy in shock compression of different polymorphs of SiC N Mitra, D Prasad APS March Meeting Abstracts 2019, G70. 338, 2019 | | 2019 |
Role of hydrogen bonding in the phase transformation of bulk liquid water to ice VII under shock loading N Mitra, D Prasad APS March Meeting Abstracts 2019, L17. 010, 2019 | | 2019 |
Shock induced phase transformation of single crystal Silicon-Molecular dynamic investigations N Mitra, D Prasad APS March Meeting Abstracts 2018, F38. 001, 2018 | | 2018 |