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New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-03, Vol.109 (12), p.2937-2941

2005

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Elements of Eoarchean life trapped in mineral inclusions

Nature (London), 2017-08, Vol.548 (7665), p.78-81

2017

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Probing the Surface Charge on the Basal Planes of Kaolinite Particles with High-Resolution Atomic Force Microscopy

Langmuir, 2017-12, Vol.33 (50), p.14226-14237

2017

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CO adsorption energies on metals with correction for high coordination adsorption sites – A density functional study

Surface science, 2007-04, Vol.601 (7), p.1747-1753

2007

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The mechanisms of crystal growth inhibition by organic and inorganic inhibitors

Nature communications, 2018-04, Vol.9 (1), p.1578-6, Article 1578

2018

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The effect of ionic strength on oil adhesion in sandstone--the search for the low salinity mechanism

Scientific reports, 2015-04, Vol.5 (1), p.9933-9933, Article 9933

2015

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Energies of the Adsorption of Functional Groups to Calcium Carbonate Polymorphs: The Importance of −OH and −COOH Groups

Langmuir, 2013-09, Vol.29 (35), p.11062-11073

2013

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First-Principles Prediction of Surface Wetting

Langmuir, 2020-10, Vol.36 (42), p.12451-12459

2020

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First-Principles Prediction of Liquid/Liquid Interfacial Tension

Journal of chemical theory and computation, 2014-08, Vol.10 (8), p.3401-3408

2014

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Surface Tension Alteration on Calcite, Induced by Ion Substitution

Journal of physical chemistry. C, 2014-02, Vol.118 (6), p.3078-3087

2014

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The effect of solvation and temperature on the adsorption of small organic molecules on calcite

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (1), p.714-7147

2018

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Strontium, Nickel, Cadmium, and Lead Substitution into Calcite, Studied by Density Functional Theory

Langmuir, 2014-06, Vol.30 (21), p.6129-6133

2014

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Structure sensitivity of the methanation reaction : H2-induced CO dissociation on nickel surfaces

Journal of catalysis, 2008-04, Vol.255 (1), p.6-19

2008

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Predicting CO2–H2O Interfacial Tension Using COSMO-RS

Journal of chemical theory and computation, 2017-02, Vol.13 (2), p.804-810

2017

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A Microkinetic Model of Calcite Step Growth

Angewandte Chemie (International ed.), 2016-09, Vol.55 (37), p.11086-11090

International ed. in English, 2016

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First-principles prediction of critical micellar concentrations for ionic and nonionic surfactants

Journal of colloid and interface science, 2022-01, Vol.606, p.618-627

2022

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Density functional theory with modified dispersion correction for metals applied to molecular adsorption on Pt(111)

Physical chemistry chemical physics : PCCP, 2016-07, Vol.18 (28), p.19118-19122

Andersson, M P

2016

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Infrared Spectroscopy and Density Functional Theory Investigation of Calcite, Chalk, and CoccolithsDo We Observe the Mineral Surface?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-11, Vol.118 (45), p.10720-10729

2014

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Incorporation of Monovalent Cations in Sulfate Green Rust

Inorganic chemistry, 2014-09, Vol.53 (17), p.8887-8894

2014

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Adhesion of Alkane as a Functional Group on Muscovite and Quartz: Dependence on pH and Contact Time

Langmuir, 2014-12, Vol.30 (48), p.14476-14485

2014

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High surface area calcite

Journal of crystal growth, 2013-05, Vol.371, p.34-38

2013

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Specific ion effects on the hydrophobic interaction of benzene self-assembled monolayers

Physical chemistry chemical physics : PCCP, 2015-09, Vol.17 (33), p.21432-21441

2015

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Calculation of Entropy of Adsorption for Small Molecules on Mineral Surfaces

Journal of physical chemistry. C, 2018-04, Vol.122 (15), p.8236-8243

2018

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New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-xi basis set 6-311+G(d,p)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-03, Vol.109 (12), p.2937

2005

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Atomistic simulations of calcium aluminosilicate interfaced with liquid water

The Journal of chemical physics, 2023-09, Vol.159 (10)

2023

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New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p)

Elements of Eoarchean life trapped in mineral inclusions

Probing the Surface Charge on the Basal Planes of Kaolinite Particles with High-Resolution Atomic Force Microscopy

CO adsorption energies on metals with correction for high coordination adsorption sites – A density functional study

The mechanisms of crystal growth inhibition by organic and inorganic inhibitors

The effect of ionic strength on oil adhesion in sandstone--the search for the low salinity mechanism

Energies of the Adsorption of Functional Groups to Calcium Carbonate Polymorphs: The Importance of −OH and −COOH Groups

First-Principles Prediction of Surface Wetting

First-Principles Prediction of Liquid/Liquid Interfacial Tension

Surface Tension Alteration on Calcite, Induced by Ion Substitution

The effect of solvation and temperature on the adsorption of small organic molecules on calcite

Strontium, Nickel, Cadmium, and Lead Substitution into Calcite, Studied by Density Functional Theory

Structure sensitivity of the methanation reaction : H2-induced CO dissociation on nickel surfaces

Predicting CO2–H2O Interfacial Tension Using COSMO-RS

A Microkinetic Model of Calcite Step Growth

First-principles prediction of critical micellar concentrations for ionic and nonionic surfactants

Density functional theory with modified dispersion correction for metals applied to molecular adsorption on Pt(111)

Infrared Spectroscopy and Density Functional Theory Investigation of Calcite, Chalk, and CoccolithsDo We Observe the Mineral Surface?

Incorporation of Monovalent Cations in Sulfate Green Rust

Adhesion of Alkane as a Functional Group on Muscovite and Quartz: Dependence on pH and Contact Time

High surface area calcite

Specific ion effects on the hydrophobic interaction of benzene self-assembled monolayers

Calculation of Entropy of Adsorption for Small Molecules on Mineral Surfaces

New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-xi basis set 6-311+G(d,p)

Atomistic simulations of calcium aluminosilicate interfaced with liquid water

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