Publications by authors named "Marc P Coons"

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Spectroscopy and dynamics of the hydrated electron at the water/air interface.
Caleb J C Jordan, Marc P Coons, John M Herbert, Jan R R Verlet

Nat Commun· January 2024

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Author Correction: Spectroscopy and dynamics of the hydrated electron at the water/air interface.
Caleb J C Jordan, Marc P Coons, John M Herbert, Jan R R Verlet

Nat Commun· January 2024

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Detection and Correction of Delocalization Errors for Electron and Hole Polarons Using Density-Corrected DFT.
Bhaskar Rana, Marc P Coons, John M Herbert

J Phys Chem Lett· June 2022

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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, Joonho Lee, Yuezhi Mao, Marc P Coons

J Chem Phys· August 2021

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Scaling up electronic structure calculations on quantum computers: The frozen natural orbital based method of increments.
Prakash Verma, Lee Huntington, Marc P Coons, Yukio Kawashima, Takeshi Yamazaki

J Chem Phys· July 2021

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Erratum: "Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface" [J. Chem. Phys. 148, 222834 (2018)].
Suranjan K Paul, Marc P Coons, John M Herbert

J Chem Phys· November 2019

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Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface.
Marc P Coons, John M Herbert

J Chem Phys· June 2018

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The Hydrated Electron.
John M Herbert, Marc P Coons

Annu Rev Phys Chem· May 2017

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The Hydrated Electron at the Surface of Neat Liquid Water Appears To Be Indistinguishable from the Bulk Species.
Marc P Coons, Zhi-Qiang You, John M Herbert

J Am Chem Soc· August 2016

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Optical spectroscopy of the bulk and interfacial hydrated electron from ab initio calculations.
Frank Uhlig, John M Herbert, Marc P Coons, Pavel Jungwirth

J Phys Chem A· September 2014

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