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The Flexible, Polarizable, Thole-Type Interaction Potential for Water (TTM2-F) Revisited

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-03, Vol.110 (11), p.4100-4106

2006

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Excited States of DNA Base Pairs Using Long-Range Corrected Time-Dependent Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-09, Vol.113 (36), p.9761-9765

2009

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Probing Sulfur Chemical and Electronic Structure with Experimental Observation and Quantitative Theoretical Prediction of Kα and Valence-to-Core Kβ X‑ray Emission Spectroscopy

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-07, Vol.124 (26), p.5415-5434

2020

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Prediction of Structures and Atomization Energies of Small Silver Clusters, (Ag) n , n < 100

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (34), p.8298-8313

2013

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How Well Can New-Generation Density Functionals Describe the Energetics of Bond-Dissociation Reactions Producing Radicals?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-02, Vol.112 (6), p.1095-1099

2008

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Aqueous Photochemistry of Secondary Organic Aerosol of α‑Pinene and α‑Humulene Oxidized with Ozone, Hydroxyl Radical, and Nitrate Radical

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-02, Vol.121 (6), p.1298-1309

2017

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Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-02, Vol.121 (7), p.1389-1401

Wang, Xue-Bin

2017

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Benchmark Theoretical Study of the π–π Binding Energy in the Benzene Dimer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-09, Vol.118 (35), p.7568-7578

2014

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Analysis of Intermediates and Products from the Dehydrogenation of Mg(BH4)2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-01, Vol.126 (3), p.444-452

2022

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High-Resolution Mass Spectrometry and Molecular Characterization of Aqueous Photochemistry Products of Common Types of Secondary Organic Aerosols

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (11), p.2594-2606

2015

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Structures and Stabilities of (MgO) n Nanoclusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-05, Vol.118 (17), p.3136-3146

2014

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Optical Rotation Calculated with Time-Dependent Density Functional Theory: The OR45 Benchmark

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-10, Vol.115 (40), p.10930-10949

2011

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Resonance Raman Scattering of Rhodamine 6G as Calculated Using Time-Dependent Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-05, Vol.110 (18), p.5973-5977

2006

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Desorption Kinetics of Methanol, Ethanol, and Water from Graphene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-09, Vol.118 (37), p.8242-8250

2014

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Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-09, Vol.118 (35), p.7469-7488

2014

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A New, Self-Contained Asymptotic Correction Scheme To Exchange-Correlation Potentials for Time-Dependent Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-11, Vol.107 (47), p.10154-10158

2003

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Experimental and Computational Studies of Alkali-Metal Coinage-Metal Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-03, Vol.110 (12), p.4244-4250

2006

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Mechanisms and Rates of U(VI) Reduction by Fe(II) in Homogeneous Aqueous Solution and the Role of U(V) Disproportionation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-09, Vol.121 (35), p.6603-6613

2017

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On the Electronic and Atomic Structures of Small Au N - (N = 4−14) Clusters: A Photoelectron Spectroscopy and Density-Functional Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-08, Vol.107 (32), p.6168-6175

2003

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Evolution of Radicals from the Photolysis of High Ionic Strength Alkaline Nitrite Solutions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-04, Vol.124 (16), p.3019-3025

2020

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Velocity-Map Imaging and Magnetic-Bottle Photoelectron Spectroscopy of [SeCCH]−: Electronic Properties and Spin–Orbit Splitting

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-04, Vol.124 (16), p.3214-3219

2020

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Vibrational Mode Assignment of α‑Pinene by Isotope Editing: One Down, Seventy-One To Go

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-05, Vol.120 (17), p.2684-2690

2016

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Molecular Structures and Energetics of the (TiO2) n (n = 1−4) Clusters and Their Anions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-07, Vol.112 (29), p.6646-6666

2008

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Time-Dependent Density Functional Study of the Electronic Excited States of Polycyclic Aromatic Hydrocarbon Radical Ions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-06, Vol.107 (24), p.4940-4951

2003

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Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (30), p.6421-6432

2013

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The Flexible, Polarizable, Thole-Type Interaction Potential for Water (TTM2-F) Revisited

Excited States of DNA Base Pairs Using Long-Range Corrected Time-Dependent Density Functional Theory

Probing Sulfur Chemical and Electronic Structure with Experimental Observation and Quantitative Theoretical Prediction of Kα and Valence-to-Core Kβ X‑ray Emission Spectroscopy

Prediction of Structures and Atomization Energies of Small Silver Clusters, (Ag) n , n < 100

How Well Can New-Generation Density Functionals Describe the Energetics of Bond-Dissociation Reactions Producing Radicals?

Aqueous Photochemistry of Secondary Organic Aerosol of α‑Pinene and α‑Humulene Oxidized with Ozone, Hydroxyl Radical, and Nitrate Radical

Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy

Benchmark Theoretical Study of the π–π Binding Energy in the Benzene Dimer

Analysis of Intermediates and Products from the Dehydrogenation of Mg(BH4)2

High-Resolution Mass Spectrometry and Molecular Characterization of Aqueous Photochemistry Products of Common Types of Secondary Organic Aerosols

Structures and Stabilities of (MgO) n Nanoclusters

Optical Rotation Calculated with Time-Dependent Density Functional Theory: The OR45 Benchmark

Resonance Raman Scattering of Rhodamine 6G as Calculated Using Time-Dependent Density Functional Theory

Desorption Kinetics of Methanol, Ethanol, and Water from Graphene

Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates

A New, Self-Contained Asymptotic Correction Scheme To Exchange-Correlation Potentials for Time-Dependent Density Functional Theory

Experimental and Computational Studies of Alkali-Metal Coinage-Metal Clusters

Mechanisms and Rates of U(VI) Reduction by Fe(II) in Homogeneous Aqueous Solution and the Role of U(V) Disproportionation

On the Electronic and Atomic Structures of Small Au N - (N = 4−14) Clusters: A Photoelectron Spectroscopy and Density-Functional Study

Evolution of Radicals from the Photolysis of High Ionic Strength Alkaline Nitrite Solutions

Velocity-Map Imaging and Magnetic-Bottle Photoelectron Spectroscopy of [SeCCH]−: Electronic Properties and Spin–Orbit Splitting

Vibrational Mode Assignment of α‑Pinene by Isotope Editing: One Down, Seventy-One To Go

Molecular Structures and Energetics of the (TiO2) n (n = 1−4) Clusters and Their Anions

Time-Dependent Density Functional Study of the Electronic Excited States of Polycyclic Aromatic Hydrocarbon Radical Ions

Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation

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