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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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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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Low-Lying Electronic States of Irn Clusters with n = 2―8 Predicted at the DFT, CASSCF, and CCSD(T) Levels

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-05, Vol.117 (17), p.3676-3688

2013

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An Au8 Cluster Fortified by Four Ferrocenes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-07, Vol.124 (29), p.6061-6067

2020

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An Au 8 Cluster Fortified by Four Ferrocenes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-07, Vol.124 (29), p.6061-6067

2020

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Molecular and Dissociative Adsorption of Water on (TiO2) n Clusters, n = 1–4

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-11, Vol.119 (46), p.11406-11421

2015

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Prediction of Structures and Atomization Energies of Coinage Metals, (M) n , n < 20: Extrapolation of Normalized Clustering Energies to Predict the Cohesive Energy

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-03, Vol.124 (9), p.1775-1786

2020

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Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au 3

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-02, Vol.123 (6), p.1198-1207

2019

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Low-Lying Electronic States of Ir sub(n) Clusters with n = 2-8 Predicted at the DFT, CASSCF, and CCSD(T) Levels

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-05, Vol.117 (17), p.3676-3688-3676-3688

2013

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Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au3

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-02, Vol.123 (6), p.1198-1207

2019

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Molecular and Dissociative Adsorption of Water on (TiO 2 ) n Clusters, n = 1–4

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-11, Vol.119 (46)

2015

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Molecular and Dissociative Adsorption of Water on (TiO 2 ) n Clusters, n = 1–4

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-11, Vol.119 (46)

2015

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Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H sub(2)O sub(2) and H sub(2) + O sub(2) Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (8), p.1779-1796

2017

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Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H2O2 and H2 + O2 Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (8), p.1779-1796

2017

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Structures and Energetics of (MgCO3) n Clusters (n ≤ 16)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-04, Vol.119 (14), p.3419-3428

2015

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Structures and Stabilities of (MgO) sub(n) Nanoclusters

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

2014

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Structures and Properties of the Products of the Reaction of Lanthanide Atoms with H2O: Dominance of the +II Oxidation State

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-02, Vol.120 (5), p.793-804

2016

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Structures and Properties of the Products of the Reaction of Lanthanide Atoms with H 2 O: Dominance of the +II Oxidation State

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-02, Vol.120 (5), p.793-804

2016

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Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H 2 O 2 and H 2 + O 2 Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (8), p.1779-1796

2017

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

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

2013

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Low-Lying Electronic States of Ir n Clusters with n = 2–8 Predicted at the DFT, CASSCF, and CCSD(T) Levels

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-05, Vol.117 (17), p.3676-3688

2013

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Reactions of Late Lanthanide Metal Atoms and Methanol in Solid Argon: A Matrix Isolation Infrared Spectroscopic and Theoretical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-12, Vol.115 (51), p.14581-14592

2011

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Matrix Infrared Spectroscopic and Electronic Structure Investigations of the Lanthanide Metal Atom-Methyl Fluoride Reaction Products CH3-LnF and CH2-LnHF: The Formation of Single Carbon-Lanthanide Metal Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-06, Vol.115 (22), p.5609-5624

2011

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Matrix Infrared Spectroscopic and Computational Investigations of the Lanthanide−Methylene Complexes CH2LnF2 with Single Ln−C Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-03, Vol.115 (10), p.1913-1921

2011

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Low-lying electronic states of Ir(n) clusters with n = 2-8 predicted at the DFT, CASSCF, and CCSD(T) levels

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-05, Vol.117 (17), p.3676-3688

2013

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

Structures and Stabilities of (MgO) n Nanoclusters

Low-Lying Electronic States of Irn Clusters with n = 2―8 Predicted at the DFT, CASSCF, and CCSD(T) Levels

An Au8 Cluster Fortified by Four Ferrocenes

An Au 8 Cluster Fortified by Four Ferrocenes

Molecular and Dissociative Adsorption of Water on (TiO2) n Clusters, n = 1–4

Prediction of Structures and Atomization Energies of Coinage Metals, (M) n , n < 20: Extrapolation of Normalized Clustering Energies to Predict the Cohesive Energy

Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au 3

Low-Lying Electronic States of Ir sub(n) Clusters with n = 2-8 Predicted at the DFT, CASSCF, and CCSD(T) Levels

Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au3

Molecular and Dissociative Adsorption of Water on (TiO 2 ) n Clusters, n = 1–4

Molecular and Dissociative Adsorption of Water on (TiO 2 ) n Clusters, n = 1–4

Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H sub(2)O sub(2) and H sub(2) + O sub(2) Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States

Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H2O2 and H2 + O2 Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States

Structures and Energetics of (MgCO3) n Clusters (n ≤ 16)

Structures and Stabilities of (MgO) sub(n) Nanoclusters

Structures and Properties of the Products of the Reaction of Lanthanide Atoms with H2O: Dominance of the +II Oxidation State

Structures and Properties of the Products of the Reaction of Lanthanide Atoms with H 2 O: Dominance of the +II Oxidation State

Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H 2 O 2 and H 2 + O 2 Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States

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

Low-Lying Electronic States of Ir n Clusters with n = 2–8 Predicted at the DFT, CASSCF, and CCSD(T) Levels

Reactions of Late Lanthanide Metal Atoms and Methanol in Solid Argon: A Matrix Isolation Infrared Spectroscopic and Theoretical Study

Matrix Infrared Spectroscopic and Electronic Structure Investigations of the Lanthanide Metal Atom-Methyl Fluoride Reaction Products CH3-LnF and CH2-LnHF: The Formation of Single Carbon-Lanthanide Metal Bonds

Matrix Infrared Spectroscopic and Computational Investigations of the Lanthanide−Methylene Complexes CH2LnF2 with Single Ln−C Bonds

Low-lying electronic states of Ir(n) clusters with n = 2-8 predicted at the DFT, CASSCF, and CCSD(T) levels

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