| Projected quasiparticle theory for molecular electronic structure GE Scuseria, CA Jiménez-Hoyos, TM Henderson, K Samanta, JK Ellis The Journal of chemical physics 135 (12), 2011 | 199 | 2011 |
| Quantum dynamical investigation of the simplest Criegee intermediate CH2OO and its O–O photodissociation channels K Samanta, JM Beames, MI Lester, JE Subotnik The Journal of Chemical Physics 141 (13), 2014 | 55 | 2014 |
| Exploring copper oxide cores using the projected Hartree–Fock method K Samanta, CA Jiménez-Hoyos, GE Scuseria Journal of Chemical Theory and Computation 8 (12), 4944-4949, 2012 | 41 | 2012 |
| Selective leaching of Al from hypereutectic Al-Si alloy to produce nano-porous silicon (NPS) anodes for lithium ion batteries AD Pathak, UK Chanda, K Samanta, A Mandal, KK Sahu, S Pati Electrochimica Acta 317, 654-662, 2019 | 35 | 2019 |
| Investigation of 2P Be− Shape Resonances Using a Quadratically Convergent Complex Multiconfigurational Self-Consistent Field Method K Samanta, DL Yeager The Journal of Physical Chemistry B 112 (50), 16214-16219, 2008 | 31 | 2008 |
| Obtaining positions and widths of scattering resonances from a complex multiconfigurational self‐consistent field state using the M1 method K Samanta, DL Yeager International Journal of Quantum Chemistry 110 (4), 798-812, 2010 | 22 | 2010 |
| Complex multiconfigurational self-consistent field-based methods to investigate electron-atom/molecule scattering resonances K Samanta, DL Yeager Advances in Chemical Physics 150, 103, 2012 | 18 | 2012 |
| Mechanistic insight into the performance enhancement of Si anode of a lithium-ion battery with a fluoroethylene carbonate electrolyte additive AD Pathak, K Samanta, KK Sahu, S Pati Journal of Applied Electrochemistry 51, 143-154, 2021 | 15 | 2021 |
| A dinuclear [{(p-cym) Ru II Cl} 2 (μ-bpytz˙−)]+ complex bridged by a radical anion: synthesis, spectroelectrochemical, EPR and theoretical investigation (bpytz= 3, 6-bis (3, 5 … SK Tripathy, M van der Meer, A Sahoo, P Laha, N Dehury, S Plebst, ... Dalton Transactions 45 (31), 12532-12538, 2016 | 15 | 2016 |
| An Electron Propagator Approach Based on a Multiconfigurational Reference State for the Investigation of Negative-Ion Resonances Using a Complex Absorbing Potential Method S Das, Y Sajeev, K Samanta Journal of Chemical Theory and Computation 16 (8), 5024-5034, 2020 | 13 | 2020 |
| CBr 4 Catalyzed Activation of α, β-unsaturated Ketones SK Bera, RR Maharana, K Samanta, P Mal Organic & Biomolecular Chemistry 20 (35), 7085-7091, 2022 | 8 | 2022 |
| Electron–Atom and Electron–Molecule Resonances: Some Theoretical Approaches Using Complex Scaled Multiconfigurational Methods K Samanta, T Tsogbayar, SB Zhang, DL Yeager Advances in Quantum Chemistry 77, 317-390, 2018 | 7 | 2018 |
| Semiclassical dynamics on machine-learned coupled multireference potential energy surfaces: Application to the photodissociation of the simplest Criegee intermediate MK Sit, S Das, K Samanta The Journal of Physical Chemistry A 127 (10), 2376-2387, 2023 | 3 | 2023 |
| On the role of conical intersections and their local topography in the photodissociation of the 1-hydroxyethyl radical K Samanta, DR Yarkony Chemical Physics 378 (1-3), 110-117, 2010 | 3 | 2010 |
| Investigation of electron-induced scattering resonances using a multiconfigurational polarization propagator and a complex absorbing potential S Das, K Samanta Chemical Physics 564, 111712, 2023 | 2 | 2023 |
| Investigation of negative-ion resonances using a subspace-projected multiconfigurational electron propagator perturbed with a complex absorbing potential S Das, K Samanta The Journal of Chemical Physics 156 (22), 2022 | 2 | 2022 |
| Investigation of electron-atom/molecule scattering resonances: Two complex multiconfigurational self-consistent field approaches K Samanta, DL Yeager AIP Conf. Proc. 1642, 239, 2015 | 1 | 2015 |
| Investigation of the Effect of Solvents on the Synthesis of Aza-flavanone from Aminochalcone Facilitated by Halogen Bonding RR Maharana, R Bhanja, P Mal, K Samanta ACS omega 8 (37), 33785-33793, 2023 | | 2023 |
| Photodissociation pathways in the simplest Criegee intermediate: a semi-classical investigation MK Sit, S Das, P Kumar, K Samanta Journal of Chemical Sciences 135 (3), 82, 2023 | | 2023 |
| Recent Advances in the Study of Negative‐Ion Resonances Using Multiconfigurational Propagator and a Complex Absorbing Potential S Das, K Samanta ChemPhysChem 24 (3), e202200546, 2023 | | 2023 |
Gustavo E. ScuseriaWelch Professor of Chemistry, Physics & Astronomy, and Materials Science & NanoEngineeringVerified email at rice.edu
