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2‑in‑1 Phase Space Sampling for Calculating the Absorption Spectrum of the Hydrated Electron

Journal of chemical theory and computation, 2024-05, Vol.20 (10), p.4265-4277

2024

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Combined Effects from Solvation and Nuclear Quantum Fluctuations on Autoionization Mechanisms in Aqueous Clusters

The journal of physical chemistry. B, 2020-03, Vol.124 (11), p.2198-2208

2020

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Hydration dynamics in water clusters via quantum molecular dynamics simulations

The Journal of chemical physics, 2014-05, Vol.140 (20), p.204317-204317

Turi, László

2014

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Tribute to Peter J. Rossky

The journal of physical chemistry. B, 2020-11, Vol.124 (47), p.10591-10593

2020

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Theoretical Studies of Spectroscopy and Dynamics of Hydrated Electrons

Chemical reviews, 2012-11, Vol.112 (11), p.5641-5674

2012

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Excess electron solvation in ammonia clusters

The Journal of chemical physics, 2019-11, Vol.151 (20), p.204304-204304

2019

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Ab Initio Molecular Dynamics Simulations of Solvated Electrons in Ammonia Clusters

The journal of physical chemistry. B, 2020-08, Vol.124 (33), p.7205-7216

2020

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On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

The Journal of chemical physics, 2016-04, Vol.144 (15), p.154311-154311

Turi, László

2016

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Hydrated Electrons in Water Clusters: Inside or Outside, Cavity or Noncavity?

Journal of chemical theory and computation, 2015-04, Vol.11 (4), p.1745-1755

Turi, László

2015

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Ab initio molecular dynamics study of solvated electrons in methanol clusters

Physical chemistry chemical physics : PCCP, 2018-11, Vol.20 (45), p.28741-28750

2018

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Electronic Excited State Lifetimes of Anionic Water Clusters: Dependence on Charge Solvation Motif

The journal of physical chemistry letters, 2017-05, Vol.8 (10), p.2304-2309

2017

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Characterization of Excess Electrons in Water-Cluster Anions by Quantum Simulations

Science (American Association for the Advancement of Science), 2005-08, Vol.309 (5736), p.914-917

2005

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Excess electrons in methanol clusters: Beyond the one-electron picture

The Journal of chemical physics, 2016-10, Vol.145 (16), p.164313-164313

2016

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Accurate quantitative analysis of gold alloys using multi-pulse laser induced breakdown spectroscopy and a correlation-based calibration method

Spectrochimica acta. Part B: Atomic spectroscopy, 2008-05, Vol.63 (5), p.591-597

2008

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Comment on "Does the hydrated electron occupy a cavity?"

Science (American Association for the Advancement of Science), 2011-03, Vol.331 (6023), p.1387; author reply 1387-1387

2011

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A new electron-methanol molecule pseudopotential and its application for the solvated electron in methanol

The Journal of chemical physics, 2010-04, Vol.132 (15), p.154507-154507

2010

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Response of Observables for Cold Anionic Water Clusters to Cluster Thermal History

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-02, Vol.114 (6), p.2331-2337

2010

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Interior- and surface-bound excess electron states in large water cluster anions

The Journal of chemical physics, 2009-03, Vol.130 (12), p.124319-124319-7

2009

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Excess electron relaxation dynamics at water/air interfaces

The Journal of chemical physics, 2007-06, Vol.126 (23), p.234707-234707-11

2007

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Analytical investigations of an electron–water molecule pseudopotential. II. Development of a new pair potential and molecular dynamics simulations

The Journal of chemical physics, 2002-10, Vol.117 (13), p.6186-6195

2002

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Quantum-classical simulation of electron localization in negatively charged methanol clusters

The Journal of chemical physics, 2011-08, Vol.135 (8), p.084501-084501-8

2011

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Nuclear quantum effects on the nonadiabatic decay mechanism of an excited hydrated electron

The Journal of chemical physics, 2007-11, Vol.127 (17), p.174508-174508

2007

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Nuclear quantum effects in electronically adiabatic quantum time correlation functions: application to the absorption spectrum of a hydrated electron

The Journal of chemical physics, 2009-07, Vol.131 (2), p.024119-024119

2009

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Excess electron localization sites in neutral water clusters

The Journal of chemical physics, 2006-07, Vol.125 (1), p.014308-014308-7

2006

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Quantized time correlation function approach to nonadiabatic decay rates in condensed phase: application to solvated electrons in water and methanol

The Journal of chemical physics, 2006-08, Vol.125 (6), p.64501-64501

2006

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2‑in‑1 Phase Space Sampling for Calculating the Absorption Spectrum of the Hydrated Electron

Combined Effects from Solvation and Nuclear Quantum Fluctuations on Autoionization Mechanisms in Aqueous Clusters

Hydration dynamics in water clusters via quantum molecular dynamics simulations

Tribute to Peter J. Rossky

Theoretical Studies of Spectroscopy and Dynamics of Hydrated Electrons

Excess electron solvation in ammonia clusters

Ab Initio Molecular Dynamics Simulations of Solvated Electrons in Ammonia Clusters

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

Hydrated Electrons in Water Clusters: Inside or Outside, Cavity or Noncavity?

Ab initio molecular dynamics study of solvated electrons in methanol clusters

Electronic Excited State Lifetimes of Anionic Water Clusters: Dependence on Charge Solvation Motif

Characterization of Excess Electrons in Water-Cluster Anions by Quantum Simulations

Excess electrons in methanol clusters: Beyond the one-electron picture

Accurate quantitative analysis of gold alloys using multi-pulse laser induced breakdown spectroscopy and a correlation-based calibration method

Comment on "Does the hydrated electron occupy a cavity?"

A new electron-methanol molecule pseudopotential and its application for the solvated electron in methanol

Response of Observables for Cold Anionic Water Clusters to Cluster Thermal History

Interior- and surface-bound excess electron states in large water cluster anions

Excess electron relaxation dynamics at water/air interfaces

Analytical investigations of an electron–water molecule pseudopotential. II. Development of a new pair potential and molecular dynamics simulations

Quantum-classical simulation of electron localization in negatively charged methanol clusters

Nuclear quantum effects on the nonadiabatic decay mechanism of an excited hydrated electron

Nuclear quantum effects in electronically adiabatic quantum time correlation functions: application to the absorption spectrum of a hydrated electron

Excess electron localization sites in neutral water clusters

Quantized time correlation function approach to nonadiabatic decay rates in condensed phase: application to solvated electrons in water and methanol

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