Publications by authors named "Kousik Samanta"

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Investigating the Role of Various Substitution Strategies in CsAgBiI Double Perovskite Toward the Enhancement of Its Optoelectronic Properties.
Binoy Chandra Dey, Kousik Samanta

Small· August 2025

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l‑Proline-Carboxylic Acid-Based Hydrophobic Deep Eutectic Solvents: Thermophysical Properties and DFT Structural Insights.
Samaresh Maharana, Rajat Rajiv Maharana, Kousik Samanta, Sujata Mishra

ACS Omega· August 2025

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Solar Assisted Mitigation of Chloramphenicol and H Evolution Using CuNi Alloy Nanoparticles on h-BN Doped g-CN: A Comprehensive Approach Combining Synchrotron and DFT Analysis.
Vishal Rout, Banalata Maji, Harshini V Annadata, Rajat Rajiv Maharana, Deepak Kumar Panda, Jyotiraditya Samantaray, Kousik Samanta

ACS Appl Mater Interfaces· December 2024

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Machine Learning-Assisted Mixed Quantum-Classical Dynamics without Explicit Nonadiabatic Coupling: Application to the Photodissociation of Peroxynitric Acid.
Mahesh K Sit, Subhasish Das, Kousik Samanta

J Phys Chem A· September 2024

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Investigation of the Effect of Solvents on the Synthesis of Aza-flavanone from Aminochalcone Facilitated by Halogen Bonding.
Rajat Rajiv Maharana, Rosalin Bhanja, Prasenjit Mal, Kousik Samanta

ACS Omega· September 2023

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Semiclassical Dynamics on Machine-Learned Coupled Multireference Potential Energy Surfaces: Application to the Photodissociation of the Simplest Criegee Intermediate.
Mahesh K Sit, Subhasish Das, Kousik Samanta

J Phys Chem A· March 2023

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Recent Advances in the Study of Negative-Ion Resonances Using Multiconfigurational Propagator and a Complex Absorbing Potential.
Subhasish Das, Kousik Samanta

Chemphyschem· February 2023

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CBr catalyzed activation of α,β-unsaturated ketones.
Shyamal Kanti Bera, Rajat Rajiv Maharana, Kousik Samanta, Prasenjit Mal

Org Biomol Chem· September 2022

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Investigation of negative-ion resonances using a subspace-projected multiconfigurational electron propagator perturbed with a complex absorbing potential.
Subhasish Das, Kousik Samanta

J Chem Phys· June 2022

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An Electron Propagator Approach Based on a Multiconfigurational Reference State for the Investigation of Negative-Ion Resonances Using a Complex Absorbing Potential Method.
Subhasish Das, Y Sajeev, Kousik Samanta

J Chem Theory Comput· August 2020

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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-dimethylpyrazolyl)1,2,4,5-tetrazine; p-cym = p-cymene).
Suman Kumar Tripathy, Margarethe van der Meer, Anupam Sahoo, Paltan Laha, Niranjan Dehury, Kousik Samanta

Dalton Trans· August 2016

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Quantum dynamical investigation of the simplest Criegee intermediate CH2OO and its O-O photodissociation channels.
Kousik Samanta, Joseph M Beames, Marsha I Lester, Joseph E Subotnik

J Chem Phys· October 2014

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Exploring Copper Oxide Cores Using the Projected Hartree-Fock Method.
Kousik Samanta, Carlos A Jiménez-Hoyos, Gustavo E Scuseria

J Chem Theory Comput· December 2012

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Projected quasiparticle theory for molecular electronic structure.
Gustavo E Scuseria, Carlos A Jiménez-Hoyos, Thomas M Henderson, Kousik Samanta, Jason K Ellis

J Chem Phys· September 2011

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Investigation of 2P Be- shape resonances using a quadratically convergent complex multiconfigurational self-consistent field method.
Kousik Samanta, Danny L Yeager

J Phys Chem B· December 2008

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