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Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity

The Journal of chemical physics, 2015-05, Vol.142 (18), p.184704-184704

2015

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Molecular characterization of brown carbon (BrC) chromophores in secondary organic aerosol generated from photo-oxidation of toluene

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (36), p.23312-23325

2015

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Optical properties and aging of light-absorbing secondary organic aerosol

Atmospheric chemistry and physics, 2016-10, Vol.16 (19), p.12815-12827

2016

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Charge and Electric Field Fluctuations in Aqueous NaCl Electrolytes

The journal of physical chemistry. B, 2013-09, Vol.117 (37), p.10869-10882

2013

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Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O) n=2–28 Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-09, Vol.119 (36), p.9425-9440

2015

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Molecular-level origin of the carboxylate head group response to divalent metal ion complexation at the air–water interface

Proceedings of the National Academy of Sciences - PNAS, 2019-07, Vol.116 (30), p.14874-14880

2019

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Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water

Journal of the American Chemical Society, 2008-12, Vol.130 (49), p.16556-16561

2008

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Electric fields and potentials in condensed phases

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (41), p.23836-23849

Kathmann, Shawn M

2021

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Isotopomer-selective spectra of a single intact H2O molecule in the Cs+(D2O)5H2O isotopologue: Going beyond pattern recognition to harvest the structural information encoded in vibrational spectra

The Journal of chemical physics, 2016-02, Vol.144 (7), p.074305-074305

2016

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Thermodynamics and Kinetics of Nanoclusters Controlling Gas-to-Particle Nucleation

Journal of physical chemistry. C, 2009-06, Vol.113 (24), p.10354-10370

2009

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Hydrated Structure of Ag(I) Ion from Symmetry-Dependent, K- and L-Edge XAFS Multiple Scattering and Molecular Dynamics Simulations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-12, Vol.113 (50), p.13976-13984

2009

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Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water

Journal of the American Chemical Society, 2009-12, Vol.131 (47), p.17522-17522

2009

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Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers

The Journal of chemical physics, 2015-05, Vol.142 (18), p.184705-184705

2015

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Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes

Accounts of chemical research, 2021-07, Vol.54 (13), p.2833-2843

2021

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Mean Inner Potential of Liquid Water

Physical review letters, 2020-02, Vol.124 (6), p.065502-065502, Article 065502

2020

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A matter of quantum voltages

The Journal of chemical physics, 2014-11, Vol.141 (18), p.18C534-18C534

2014

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Neutron Powder Diffraction and Molecular Simulation Study of the Structural Evolution of Ammonia Borane from 15 to 340 K

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-05, Vol.113 (19), p.5723-5735

2009

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Understanding the Surface Potential of Water

The journal of physical chemistry. B, 2011-04, Vol.115 (15), p.4369-4377

2011

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The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals

Faraday discussions, 2013-01, Vol.167, p.389-403

2013

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Detecting underscreening and generalized Kirkwood transitions in aqueous electrolytes

The Journal of chemical physics, 2024-10, Vol.161 (15)

2024

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Nanometer-Scale Correlations in Aqueous Salt Solutions

The journal of physical chemistry letters, 2020-04, Vol.11 (7), p.2598-2604

2020

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Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study

Journal of catalysis, 2010-05, Vol.271 (2), p.325-342

2010

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Non-hexagonal ice at hexagonal surfaces: the role of lattice mismatch

Physical chemistry chemical physics : PCCP, 2012-06, Vol.14 (22), p.7944-7949

2012

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Analysis of the Activation and Heterolytic Dissociation of H2 by Frustrated Lewis Pairs: NH3/BX3 (X = H, F, and Cl)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-07, Vol.116 (26), p.7228-7237

2012

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Electric Potentials of Metastable Salt Clusters

Journal of physical chemistry. C, 2019-06, Vol.123 (22), p.14010-14023

2019

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Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity

Molecular characterization of brown carbon (BrC) chromophores in secondary organic aerosol generated from photo-oxidation of toluene

Optical properties and aging of light-absorbing secondary organic aerosol

Charge and Electric Field Fluctuations in Aqueous NaCl Electrolytes

Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O) n=2–28 Clusters

Molecular-level origin of the carboxylate head group response to divalent metal ion complexation at the air–water interface

Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water

Electric fields and potentials in condensed phases

Isotopomer-selective spectra of a single intact H2O molecule in the Cs+(D2O)5H2O isotopologue: Going beyond pattern recognition to harvest the structural information encoded in vibrational spectra

Thermodynamics and Kinetics of Nanoclusters Controlling Gas-to-Particle Nucleation

Hydrated Structure of Ag(I) Ion from Symmetry-Dependent, K- and L-Edge XAFS Multiple Scattering and Molecular Dynamics Simulations

Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water

Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers

Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes

Mean Inner Potential of Liquid Water

A matter of quantum voltages

Neutron Powder Diffraction and Molecular Simulation Study of the Structural Evolution of Ammonia Borane from 15 to 340 K

Understanding the Surface Potential of Water

The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals

Detecting underscreening and generalized Kirkwood transitions in aqueous electrolytes

Nanometer-Scale Correlations in Aqueous Salt Solutions

Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study

Non-hexagonal ice at hexagonal surfaces: the role of lattice mismatch

Analysis of the Activation and Heterolytic Dissociation of H2 by Frustrated Lewis Pairs: NH3/BX3 (X = H, F, and Cl)

Electric Potentials of Metastable Salt Clusters

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