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Atomically dispersed supported metal catalysts: perspectives and suggestions for future research

Catalysis science & technology, 2017, Vol.7 (19), p.4259-4275

2017

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A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures

The Journal of chemical physics, 2008-11, Vol.129 (20), p.204105-204105

2008

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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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Machine-Learning Approach for the Development of Structure–Energy Relationships of ZnO Nanoparticles

Journal of physical chemistry. C, 2018-08, Vol.122 (32), p.18621-18639

2018

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Tree GrowthHybrid Genetic Algorithm for Predicting the Structure of Small (TiO2) n , n = 2–13, Nanoclusters

Journal of chemical theory and computation, 2013-07, Vol.9 (7), p.3189-3200

2013

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The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes

Journal of the American Chemical Society, 2017-05, Vol.139 (17), p.6082-6085

2017

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Predicting the Energy of the Water Exchange Reaction and Free Energy of Solvation for the Uranyl Ion in Aqueous Solution

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-07, Vol.110 (28), p.8840-8856

2006

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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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Acid Initiation of Ammonia-Borane Dehydrogenation for Hydrogen Storage

Angewandte Chemie (International ed.), 2007-01, Vol.46 (5), p.746-749

2007

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Efficient Regeneration of Partially Spent Ammonia Borane Fuel

Angewandte Chemie (International ed.), 2009-01, Vol.48 (37), p.6812-6816

2009

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Late-Stage Functionalization of 1,2-Dihydro-1,2-azaborines via Regioselective Iridium-Catalyzed C–H Borylation: The Development of a New N,N-Bidentate Ligand Scaffold

Journal of the American Chemical Society, 2015-04, Vol.137 (16), p.5536-5541

2015

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Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-05, Vol.107 (20), p.4184-4195

2003

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Dehydration, dehydrogenation, and condensation of alcohols on supported oxide catalysts based on cyclic (WO3)3 and (MoO3)3 clusters

Chemical Society reviews, 2014-11, Vol.43 (22), p.7664-768

2014

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MgO-Supported Iridium Metal Pair-Site Catalysts Are More Active and Resistant to CO Poisoning than Analogous Single-Site Catalysts for Ethylene Hydrogenation and Hydrogen–Deuterium Exchange

ACS catalysis, 2019-10, Vol.9 (10), p.9545-9553

2019

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Theoretical and Experimental Study of the Spectroscopy and Thermochemistry of UC+/0

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-12, Vol.126 (50), p.9392-9407

2022

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Computational Study of H2 and O2 Production from Water Splitting by Small (MO2) n Clusters (M = Ti, Zr, Hf)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-04, Vol.117 (16), p.3539-3555

2013

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Remotely Bonded Bridging Dioxygen Ligands Enhance Hydrogen Transfer in a Silica-Supported Tetrairidium Cluster Catalyst

Journal of the American Chemical Society, 2024-02, Vol.146 (6), p.3773-3784

2024

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Substituent Effects on the Properties of Borafluorenes

Organometallics, 2016-09, Vol.35 (18), p.3182-3191

2016

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Prediction of the Thermodynamic Properties of Key Products and Intermediates from Biomass

Journal of physical chemistry. C, 2011-08, Vol.115 (31), p.15686-15702

2011

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Accurate Thermochemistry for Transition Metal Oxide Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-07, Vol.113 (27), p.7861-7877

2009

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Diels-Alder Reactions of 1,2-Azaborines

Angewandte Chemie (International ed.), 2015-06, Vol.54 (27), p.7823-7827

International ed. in English, 2015

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Hybrid Organic/Inorganic Benzene

Angewandte Chemie (International ed.), 2009-01, Vol.48 (5), p.973-977

2009

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A Modular Synthetic Approach to Monocyclic 1,4-Azaborines

Angewandte Chemie (International ed.), 2016-07, Vol.55 (29), p.8333-8337

International ed. in English, 2016

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Hydrolysis of TiCl4: Initial Steps in the Production of TiO2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-07, Vol.114 (28), p.7561-7570

2010

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Duration of protection from live attenuated vs. sub unit HSV-2 vaccines in the guinea pig model of genital herpes: Reassessing efficacy using endpoints from clinical trials

PloS one, 2019-03, Vol.14 (3), p.e0213401-e0213401

2019

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Atomically dispersed supported metal catalysts: perspectives and suggestions for future research

A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures

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

Machine-Learning Approach for the Development of Structure–Energy Relationships of ZnO Nanoparticles

Tree GrowthHybrid Genetic Algorithm for Predicting the Structure of Small (TiO2) n , n = 2–13, Nanoclusters

The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes

Predicting the Energy of the Water Exchange Reaction and Free Energy of Solvation for the Uranyl Ion in Aqueous Solution

Structures and Stabilities of (MgO) n Nanoclusters

Acid Initiation of Ammonia-Borane Dehydrogenation for Hydrogen Storage

Efficient Regeneration of Partially Spent Ammonia Borane Fuel

Late-Stage Functionalization of 1,2-Dihydro-1,2-azaborines via Regioselective Iridium-Catalyzed C–H Borylation: The Development of a New N,N-Bidentate Ligand Scaffold

Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies

Dehydration, dehydrogenation, and condensation of alcohols on supported oxide catalysts based on cyclic (WO3)3 and (MoO3)3 clusters

MgO-Supported Iridium Metal Pair-Site Catalysts Are More Active and Resistant to CO Poisoning than Analogous Single-Site Catalysts for Ethylene Hydrogenation and Hydrogen–Deuterium Exchange

Theoretical and Experimental Study of the Spectroscopy and Thermochemistry of UC+/0

Computational Study of H2 and O2 Production from Water Splitting by Small (MO2) n Clusters (M = Ti, Zr, Hf)

Remotely Bonded Bridging Dioxygen Ligands Enhance Hydrogen Transfer in a Silica-Supported Tetrairidium Cluster Catalyst

Substituent Effects on the Properties of Borafluorenes

Prediction of the Thermodynamic Properties of Key Products and Intermediates from Biomass

Accurate Thermochemistry for Transition Metal Oxide Clusters

Diels-Alder Reactions of 1,2-Azaborines

Hybrid Organic/Inorganic Benzene

A Modular Synthetic Approach to Monocyclic 1,4-Azaborines

Hydrolysis of TiCl4: Initial Steps in the Production of TiO2

Duration of protection from live attenuated vs. sub unit HSV-2 vaccines in the guinea pig model of genital herpes: Reassessing efficacy using endpoints from clinical trials

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