| Multiscale modeling of PEEK using reactive molecular dynamics modeling and micromechanics WA Pisani, MS Radue, S Chinkanjanarot, BA Bednarcyk, EJ Pineda, ... Polymer 163, 96-105, 2019 | 56 | 2019 |
| Two-dimensional gold quantum dots with tunable bandgaps S Bhandari, B Hao, K Waters, CH Lee, JC Idrobo, D Zhang, R Pandey, ... ACS nano 13 (4), 4347-4353, 2019 | 28 | 2019 |
| Amino-Acid-Conjugated Gold Clusters: Interaction of Alanine and Tryptophan with Au8 and Au20 MH Abdalmoneam, K Waters, N Saikia, R Pandey The Journal of Physical Chemistry C 121 (45), 25585-25593, 2017 | 24 | 2017 |
| Thermoelectric properties of SnSe nanoribbons: a theoretical aspect K Tyagi, K Waters, G Wang, B Gahtori, D Haranath, R Pandey Materials Research Express 3 (3), 035013, 2016 | 18 | 2016 |
| A theoretical study of structural and electronic properties of alkaline-earth fluoride clusters RK Pandey, K Waters, S Nigam, H He, SS Pingale, AC Pandey, R Pandey Computational and Theoretical Chemistry 1043, 24-30, 2014 | 15 | 2014 |
| Dynamics of self-assembled cytosine nucleobases on graphene N Saikia, F Johnson, K Waters, R Pandey Nanotechnology 29 (19), 195601, 2018 | 14 | 2018 |
| Hierarchical self-assembly of noncanonical guanine nucleobases on graphene N Saikia, K Waters, SP Karna, R Pandey ACS omega 2 (7), 3457-3466, 2017 | 14 | 2017 |
| Amino acid analogue-conjugated BN nanomaterials in a solvated phase: first principles study of topology-dependent interactions with a monolayer and a (5, 0) nanotube K Waters, R Pandey, SP Karna ACS omega 2 (1), 76-83, 2017 | 14 | 2017 |
| Electronic properties of acetaminophen adsorbed on 2D clusters: a first principles density functional study U Saikia, N Saikia, K Waters, R Pandey, MB Sahariah ChemistrySelect 2 (13), 3613-3621, 2017 | 13 | 2017 |
| A Filon-like integration strategy for calculating exact exchange in periodic boundary conditions: a plane-wave DFT implementation EJ Bylaska, K Waters, ED Hermes, J Zádor, KM Rosso Materials Theory 4 (1), 3, 2020 | 6 | 2020 |
| Coumarins: Spectroscopic measurements and first principles calculations of C4‐substituted 7‐aminocoumarins S Singh, VV Begoyan, M Tanasova, K Waters, M Seel, R Pandey Journal of Physical Organic Chemistry 31 (9), e3852, 2018 | 5 | 2018 |
| Stability, elastic and electronic properties of a novel BN2 sheet with extended hexagons with N–N bonds K Waters, R Pandey Journal of Physics: Condensed Matter 30 (13), 135002, 2018 | 5 | 2018 |
| First-Principles Investigation of the Interfacial Properties of Boron Nitride K Waters Michigan Technological University, 2018 | 2 | 2018 |
| Vibrational spectra of (BaF2) n (n= 1-6) clusters RK Pandey, K Waters, S Nigam, R Pandey, AC Pandey AIP Conference Proceedings 1731 (1), 2016 | 1 | 2016 |
| How they (should have) built the pyramids J West, G Gallagher, K Waters arXiv preprint arXiv:1408.3603, 2014 | 1 | 2014 |
| Method for directly creating a film of 2d polymers from monomer solutions DC McLeod, RH Lambeth III, KR Waters, EJ Sandoz-Rosado, ED Wetzel US Patent App. 17/195,263, 2021 | | 2021 |
| Screening 2D COF containing databases for 2D polymers with advantageous mechanical properties using first principles methods K Waters, E Sandoz-Rosado, J Andzelm, E Wetzel ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Amino acids conjugated gold clusters: Interaction of Au8 and Au20 clusters with Tryptophan and Alanine in the gas and aqueous phases M Abdalmoneam, K Waters, N Saikia, R Pandey APS March Meeting Abstracts 2018, T60. 230, 2018 | | 2018 |
| Dynamics of self-assembled guanine nucleobases on graphene N Saikia, K Waters, S Karna, R Pandey ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Interaction affinity of biological molecules with 2D materials N Saikia, K Waters, U Saikia, M Seel, R Pandey ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
