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List of works by Makenzie R. Provorse

Binding of carboxylates to gold nanoparticles: A theoretical study of the adsorption of formate on Au20

Combining Explicit Quantum Solvent with a Polarizable Continuum Model.

scientific article published on 9 October 2017

Convergence of Computed Aqueous Absorption Spectra with Explicit Quantum Mechanical Solvent

scientific article

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

scientific article published on 31 October 2016

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

scientific article

Electron dynamics with real-time time-dependent density functional theory

Explicit polarization: a quantum mechanical framework for developing next generation force fields

scientific article

Formyloxyl Radical–Gold Nanoparticle Binding: A Theoretical Study

scientific article published on 22 May 2012

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

scientific article published on 01 March 2020

Multistate Density Functional Theory for Effective Diabatic Electronic Coupling

scientific article published on June 2016

Origin of intense chiroptical effects in undecagold subnanometer particles

scientific article published in February 2010

Peak-shifting in real-time time-dependent density functional theory.

scientific article

The Third Dimension of a More O'Ferrall-Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)(2)H(•) with X = O, NH, and CH(2).

scientific article published on 4 September 2012

The quantum coherent mechanism for singlet fission: experiment and theory.

scientific article published on 12 April 2013

Two-electron Rabi oscillations in real-time time-dependent density-functional theory.

scientific article

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