| First-principles study of graphene and carbon nanotubes functionalized with benzyne M Hammouri, SK Jha, I Vasiliev The Journal of Physical Chemistry C 119 (32), 18719-18728, 2015 | 30 | 2015 |
| Tetracyanoethylene oxide-functionalized graphene and graphite characterized by Raman and Auger spectroscopy NGK Liliya V. Frolova, Igor V. Magedov, Aaron Harper, Sanjiv K. Jha, Mekan ... Carbon 81, 216–222, 2015 | 27 | 2015 |
| A mechanochemical study of the effects of compression on a Diels-Alder reaction SK Jha, K Brown, G Todde, G Subramanian The Journal of Chemical Physics 145 (7), 2016 | 25 | 2016 |
| Adsorption of TNT, DNAN, NTO, FOX7, and NQ onto Cellulose, Chitin, and Cellulose Triacetate. Insights from Density Functional Theory Calculations G Todde, SK Jha, G Subramanian, MK Shukla Surface Science 668, 54-60, 2018 | 21 | 2018 |
| First-Principles Study of the Interactions between Graphene Oxide and Amine-Functionalized Carbon Nanotube SK Jha, M Roth, G Todde, JP Buchanan, RD Moser, MK Shukla, ... The Journal of Physical Chemistry C 122 (2), 1288–1298, 2018 | 21 | 2018 |
| Role of Stone-Wales defects on the interfacial interactions among graphene, carbon nanotubes, and Nylon 6: A first-principles study SK Jha, M Roth, G Todde, JP Buchanan, RD Moser, MK Shukla, ... The Journal of Chemical Physics 149 (5), 2018 | 14 | 2018 |
| The effect of external forces on the initial dissociation of RDX (1,3,5-trinitro-1,3,5-triazine): A mechanochemical study G Todde, SK Jha, G Subramanian International Journal of Quantum Chemistry 117 (20), e25426, 2017 | 10 | 2017 |
| Vibrational Signatures of Carboxylated Graphene: A First-Principles Study SK Jha, I Vasiliev The Journal of Physical Chemistry C 122 (43), 24996-25006, 2018 | 5 | 2018 |
| Physisorption of DNA bases on finite-size nanoribbons from graphene, phosphorene, and silicene: Insights from density functional theory M Tumbapo, MB Henry, SK Jha, BO Tayo arXiv:2112.00048, 2021 | 1 | 2021 |
| A Generalized Force-Modified Potential Energy Surface (G-FMPES) for Mechanochemical Simulations SK Jha, G Subramanian Emerging Materials and Environment, 79-113, 2023 | | 2023 |
| Detection of DNA Bases Using Single-Layer Ti 3 C 2 MXene: Density Functional Theory Calculations B Tayo, M Walkup, S Jha, C Ekuma Bulletin of the American Physical Society 2023, GG07.00002, 2023 | | 2023 |
| Detection of DNA Bases Using Single-Layer Ti3C2 MXene: Density Functional Theory Calculations B Tayo, M Walkup, S Jha, C Ekuma Bulletin of the American Physical Society, GG07. 00002, 2023 | | 2023 |
| Effect of Structural Defects on the Interaction of DNA Bases with Graphene Nanoribbons: van der Waals Corrected Density Functional Theory Calculations B Tayo, S Ghimire, P Khatri, S Jha APS March Meeting Abstracts 2022, N01. 007, 2022 | | 2022 |
| Evaluation of the Feasibility of Phosphorene for Electronic DNA Sequencing Using DFT Calculations B Tayo, S Jha Bulletin of the American Physical Society 66, 2021 | | 2021 |
| Single-molecule analysis of DNA nucleobases using van der Waals heterostructures: A computational study BO Tayo, SK Jha Proc. Okla. Acad. Sci. 101, 138-151, 2021 | | 2021 |
| Interaction of DNA Nucleobases with Armchair Graphene Nanoribbons: A van der Waals Density Functional Theory Investigation P Khatri, S Ghimire, SK Jha, BO Tayo Proc. Okla. Acad. Sci. 101, 138-151, 2021 | | 2021 |
| Covalent Functionalization of Defective Graphene and Carbon Nanotubes by Benzyne: A Density Functional Theory Study K Brown, SK Jha Proc. Okla. Acad. Sci. 100, 112-115, 2020 | | 2020 |
| First-Principles Study of Defect Formation Energies in Graphene and Carbon Nanotubes B Marasini, S Jha Proc. Okla. Acad. Sci. 100, 112-115, 2020 | | 2020 |
| Supporting Information Role of Stone-Wales defects on the interfacial interactions among graphene, carbon nanotubes, and Nylon 6: A first-principles study SK Jha, M Roth, G Todde, JP Buchanan, RD Moser, MK Shukla, ... | | 2018 |
| Supporting Information First-Principles Study of the Interactions between Graphene Oxide and Amine-Functionalized Carbon Nanotube SK Jha, M Roth, G Todde, JP Buchanan, RD Moser, MK Shukla, ... | | 2018 |
Igor VasilievProfessor of Physics, New Mexico State UniversityVerified email at nmsu.edu
