Matrix elements for spin-orbit couplings in KRb
Title: Matrix elements for spin-orbit couplings in KRb Authors: P. Jasik, D. Kędziera , J.E. Sienkiewicz DOI: 10.1016/j.adt.2024.101698 Date: 2024-10-26 ...
Modeling Peptides in Aqueous Ionic Liquid Mixtures: A Quantum Mechanics/Molecular Dynamics Study of Structural and NMR Properties
Title: Modeling Peptides in Aqueous Ionic Liquid Mixtures: A Quantum Mechanics/Molecular Dynamics Study of Structural and NMR Properties Authors: Žyginta ...
Quantum Control of the Dynamical Behavior of Resonance States in Small Organic Molecules With Intense Fields
Title: Quantum Control of the Dynamical Behavior of Resonance States in Small Organic Molecules With Intense Fields Authors: Alberto García-Vela ...
Preparing Superposition States to Modify the Spectra and to Achieve Complete Selectivity in Photodissociation Reactions
Title: Preparing Superposition States to Modify the Spectra and to Achieve Complete Selectivity in Photodissociation Reactions Authors: Ignacio R. Sola ...
A high-level ab initio study of the photodissociation of the HCCl radical
Title: A high-level ab initio study of the photodissociation of the HCCl radical Authors: A. Jaddi, J. Carmona-García, D. Roca-Sanjuán, ...
Quantum Control of Resonance Lifetimes in Molecular Photodissociation with Intense Laser Fields
Title: Quantum Control of Resonance Lifetimes in Molecular Photodissociation with Intense Laser Fields Authors: Alberto García-Vela DOI: 10.1021/acs.jctc.4c01677 Date: 2025-02-10 ...
CO oxidation on bimetallic Re-Pt clusters: unraveling the role of oxygen coverage
Title: CO oxidation on bimetallic Re-Pt clusters: unraveling the role of oxygen coverage Authors: Andres Alvarez-Garcia, Ignacio L. Garzon and ...
Structural and chemical properties of Pt-rich PtxZry nanoalloys
Title: Structural and chemical properties of Pt-rich PtxZry nanoalloys Authors: Luis M. Molina and Julio A. Alonso DOI: 10.1039/d5cp02864g Date: ...
ZZPolyCalc: An open-source code with fragment caching for determination of Zhang-Zhang polynomials of carbon nanostructures
Title: ZZPolyCalc: An open-source code with fragment caching for determination of Zhang-Zhang polynomials of carbon nanostructures Authors: Rafał Podeszwa, Henryk ...
Theoretical Insights into Potential Interstellar Molecules: Protonated Acrolein and Methylketene
Title: Theoretical Insights into Potential Interstellar Molecules: Protonated Acrolein and Methylketene Authors: Terri E. Field-Theodore, Peter R. Taylor, Cristina Puzzarini ...
