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Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

Journal of chemical theory and computation, 2006-03, Vol.2 (2), p.364-382

2006

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Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions

The Journal of chemical physics, 2005-10, Vol.123 (16), p.161103-161103

2005

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Density Functionals for Inorganometallic and Organometallic Chemistry

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-12, Vol.109 (49), p.11127-11143

2005

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Characterization of the anti-inflammatory Lactobacillus reuteri BM36301 and its probiotic benefits on aged mice

BMC microbiology, 2016-04, Vol.16 (65), p.69-69, Article 69

2016

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Databases for Transition Element Bonding: Metal−Metal Bond Energies and Bond Lengths and Their Use To Test Hybrid, Hybrid Meta, and Meta Density Functionals and Generalized Gradient Approximations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-05, Vol.109 (19), p.4388-4403

2005

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TraPPE-UA Force Field for Acrylates and Monte Carlo Simulations for Their Mixtures with Alkanes and Alcohols

The journal of physical chemistry. B, 2009-05, Vol.113 (18), p.6415-6425

2009

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Benchmarking approximate density functional theory for s/d excitation energies in 3d transition metal cations

Journal of computational chemistry, 2008-01, Vol.29 (2), p.185-189

2008

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A study of the ground and excited states of Al3 and Al3(-). II. Computational analysis of the 488 nm anion photoelectron spectrum and a reconsideration of the Al3 bond dissociation energy

The Journal of chemical physics, 2009-01, Vol.130 (2), p.024304-024304

2009

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Molecular insights for the optimization of solvent-based selective extraction of ethanol from fermentation broths

AIChE journal, 2013-08, Vol.59 (8), p.3065-3070

2013

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PdnCO (n = 1,2): Accurate Ab Initio Bond Energies, Geometries, and Dipole Moments and the Applicability of Density Functional Theory for Fuel Cell Modeling

The journal of physical chemistry. B, 2006-11, Vol.110 (47), p.24030-24046

2006

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Free Energies of Formation of Metal Clusters and Nanoparticles from Molecular Simulations: Al n with n = 2−60

Journal of physical chemistry. C, 2007-11, Vol.111 (44), p.16227-16242

2007

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Validation of Theoretical Methods for the Structure and Energy of Aluminum Clusters

The journal of physical chemistry. B, 2004-04, Vol.108 (15), p.4850-4861

2004

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Prediction of Hildebrand solubility parameters of acrylate and methacrylate monomers and their mixtures by molecular simulation

Journal of applied polymer science, 2010-04, Vol.116 (1), p.1-9

2010

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Adsorption, X-ray diffraction, photoelectron, and atomic emission spectroscopy benchmark studies for the eighth industrial fluid properties simulation challenge

Adsorption science & technology, 2016-02, Vol.34 (1), p.13-41

2016

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The seventh industrial fluid properties simulation challenge

Fluid phase equilibria, 2014-03, Vol.366, p.136-140

2014

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The Eighth Industrial Fluids Properties Simulation Challenge

Adsorption science & technology, 2016-02, Vol.34 (1), p.3-12

2016

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Perfluorohexane adsorption in BCR-704 Faujasite zeolite benchmark studies for the seventh industrial fluid properties simulation challenge

Fluid phase equilibria, 2014-03, Vol.366, p.141-145

2014

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Valence–Bond Order (VBO): A New Approach to Modeling Reactive Potential Energy Surfaces for Complex Systems, Materials, and Nanoparticles

Journal of chemical theory and computation, 2009-03, Vol.5 (3), p.594-604

2009

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Analytic Potential Energy Functions for Simulating Aluminum Nanoparticles

The journal of physical chemistry. B, 2005-03, Vol.109 (9), p.3915-3920

2005

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Critical Properties of Aluminum

Journal of the American Chemical Society, 2006-04, Vol.128 (13), p.4224-4225

2006

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Phase Behavior of Elemental Aluminum Using Monte Carlo Simulations

The journal of physical chemistry. B, 2006-12, Vol.110 (51), p.26135-26142

2006

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Transferability of Orthogonal and Nonorthogonal Tight-Binding Models for Aluminum Clusters and Nanoparticles

Journal of chemical theory and computation, 2007-01, Vol.3 (1), p.210-218

2007

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New Effective Core Method (Effective Core Potential and Valence Basis Set) for Al Clusters and Nanoparticles and Heteronuclear Al-Containing Molecules

Journal of chemical theory and computation, 2005-01, Vol.1 (1), p.41-53

2005

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Exploration of Content and Reach of Physical Therapy-Related Discussion on Twitter

Physical therapy, 2019-08, Vol.99 (8), p.1048-1055

2019

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Analytic Potential Energy Functions for Aluminum Clusters

The journal of physical chemistry. B, 2004-07, Vol.108 (26), p.8996-9010

2004

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Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions

Density Functionals for Inorganometallic and Organometallic Chemistry

Characterization of the anti-inflammatory Lactobacillus reuteri BM36301 and its probiotic benefits on aged mice

Databases for Transition Element Bonding: Metal−Metal Bond Energies and Bond Lengths and Their Use To Test Hybrid, Hybrid Meta, and Meta Density Functionals and Generalized Gradient Approximations

TraPPE-UA Force Field for Acrylates and Monte Carlo Simulations for Their Mixtures with Alkanes and Alcohols

Benchmarking approximate density functional theory for s/d excitation energies in 3d transition metal cations

A study of the ground and excited states of Al3 and Al3(-). II. Computational analysis of the 488 nm anion photoelectron spectrum and a reconsideration of the Al3 bond dissociation energy

Molecular insights for the optimization of solvent-based selective extraction of ethanol from fermentation broths

PdnCO (n = 1,2): Accurate Ab Initio Bond Energies, Geometries, and Dipole Moments and the Applicability of Density Functional Theory for Fuel Cell Modeling

Free Energies of Formation of Metal Clusters and Nanoparticles from Molecular Simulations: Al n with n = 2−60

Validation of Theoretical Methods for the Structure and Energy of Aluminum Clusters

Prediction of Hildebrand solubility parameters of acrylate and methacrylate monomers and their mixtures by molecular simulation

Adsorption, X-ray diffraction, photoelectron, and atomic emission spectroscopy benchmark studies for the eighth industrial fluid properties simulation challenge

The seventh industrial fluid properties simulation challenge

The Eighth Industrial Fluids Properties Simulation Challenge

Perfluorohexane adsorption in BCR-704 Faujasite zeolite benchmark studies for the seventh industrial fluid properties simulation challenge

Valence–Bond Order (VBO): A New Approach to Modeling Reactive Potential Energy Surfaces for Complex Systems, Materials, and Nanoparticles

Analytic Potential Energy Functions for Simulating Aluminum Nanoparticles

Critical Properties of Aluminum

Phase Behavior of Elemental Aluminum Using Monte Carlo Simulations

Transferability of Orthogonal and Nonorthogonal Tight-Binding Models for Aluminum Clusters and Nanoparticles

New Effective Core Method (Effective Core Potential and Valence Basis Set) for Al Clusters and Nanoparticles and Heteronuclear Al-Containing Molecules

Exploration of Content and Reach of Physical Therapy-Related Discussion on Twitter

Analytic Potential Energy Functions for Aluminum Clusters

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