Publications by authors named "Iren Simko"

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Twin Polaritons: Classical versus Quantum Features in Polaritonic Spectra.
Irén Simkó, Norah M Hoffmann

Phys Rev Lett· December 2025

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D2O trimer: Intermolecular vibration-tunneling states, low-frequency spectrum, and the effects of the three-body interactions from rigorous 12D quantum calculations.
Irén Simkó, Peter M Felker, Zlatko Bačić

J Chem Phys· November 2025

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Intermolecular bending states and tunneling splittings of water trimer from rigorous 9D quantum calculations. II. Characterization of the states.
Peter M Felker, Irén Simkó, Zlatko Bačić

J Chem Phys· July 2025

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High-resolution leak-out spectroscopy of HHe.
Thomas Salomon, Carlo Baddeliyanage, Carla Schladt, Irén Simkó, Attila G Császár

Phys Chem Chem Phys· February 2025

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H2O trimer: Rigorous 12D quantum calculations of intermolecular vibrational states, tunneling splittings, and low-frequency spectrum.
Irén Simkó, Peter M Felker, Zlatko Bačić

J Chem Phys· January 2025

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Intermolecular Bending States and Tunneling Splittings of Water Trimer from Rigorous 9D Quantum Calculations: I. Methodology, Energy Levels, and Low-Frequency Spectrum.
Peter M Felker, Irén Simkó, Zlatko Bačić

J Phys Chem A· September 2024

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HCl trimer: HCl-stretch excited intramolecular and intermolecular vibrational states from 12D fully coupled quantum calculations employing contracted intra- and inter-molecular bases.
Irén Simkó, Peter M Felker, Zlatko Bačić

J Chem Phys· April 2024

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Unusual Dynamics and Vibrational Fingerprints of van der Waals Dimers Formed by Linear Molecules and Rare-Gas Atoms.
Roland Tóbiás, Irén Simkó, Attila G Császár

J Chem Theory Comput· December 2023

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Quantum Chemical Investigation of the Cold Water Dimer Spectrum in the First OH-Stretching Overtone Region Provides a New Interpretation.
Emil Vogt, Irén Simkó, Attila G Császár, Henrik G Kjaergaard

J Phys Chem A· November 2023

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Quantum Nuclear Delocalization and its Rovibrational Fingerprints.
Irén Simkó, Christoph Schran, Fabien Brieuc, Csaba Fábri, Oskar Asvany

Angew Chem Int Ed Engl· October 2023

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Quantum-Chemical and Quantum-Graph Models of the Dynamical Structure of CH.
Irén Simkó, Csaba Fábri, Attila G Császár

J Chem Theory Comput· January 2023

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Achieving high molecular alignment and orientation for CH[Formula: see text]F through manipulation of rotational states with varying optical and THz laser pulse parameters.
Kalyani Chordiya, Irén Simkó, Tamás Szidarovszky, Mousumi Upadhyay Kahaly

Sci Rep· May 2022

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Reduced-dimensional vibrational models of the water dimer.
Emil Vogt, Irén Simkó, Attila G Császár, Henrik G Kjaergaard

J Chem Phys· April 2022

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A quantum-chemical perspective on the laser-induced alignment and orientation dynamics of the CH X (X = F, Cl, Br, I) molecules.
Irén Simkó, Kalyani Chordiya, Attila G Császár, Mousumi Upadhyay Kahaly, Tamás Szidarovszky

J Comput Chem· March 2022

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Rotational-vibrational resonance states.
Attila G Császár, Irén Simkó, Tamás Szidarovszky, Gerrit C Groenenboom, Tijs Karman

Phys Chem Chem Phys· July 2020

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Spectroscopic-network-assisted precision spectroscopy and its application to water.
Roland Tóbiás, Tibor Furtenbacher, Irén Simkó, Attila G Császár, Meissa L Diouf

Nat Commun· April 2020

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Toward Automated Variational Computation of Rovibrational Resonances, Including a Case Study of the H Dimer.
Irén Simkó, Tamás Szidarovszky, Attila G Császár

J Chem Theory Comput· July 2019

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