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Absorption Spectra for Disordered Aggregates of Chromophores Using the Exciton Model.

artículo científico publicado en 2017

Combining Explicit Quantum Solvent with a Polarizable Continuum Model.

artículo científico publicado en 2017

Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution.

artículo científico publicado en 2018

Convergence of Computed Aqueous Absorption Spectra with Explicit Quantum Mechanical Solvent

artículo científico publicado en 2017

Correction to "Convergence of Excitation Energies in Mixed Quantum and Classical Solvent: Comparison of Continuum and Point Charge Models".

artículo científico publicado en 2017

Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

scientific article published on 06 January 2021

Effect of Ions on the Optical Absorption Spectra of Aqueously Solvated Chromophores

artículo científico publicado en 2019

Erratum: "Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution" [J. Chem. Phys. 148, 024110 (2018)]

scientific article published on 01 February 2018

Influence of Electronic Polarization on the Spectral Density

artículo científico publicado en 2020

Molecular dynamics simulations of alkaline earth metal ions binding to DNA reveal ion size and hydration effects

scientific article published on 01 March 2020

Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions

artículo científico publicado en 2020

Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches

scientific article published on 01 August 2019

Real-Time Time-Dependent Electronic Structure Theory

artículo científico publicado en 2020

Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein and green fluorescent protein chromophores in water

artículo científico publicado en 2018

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