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Publications by C.G.C.E. van Sittert

Density Functional Theory Prediction of the Aqueous Speciation of ZrF4 and HfF4

Journal of the Southern African Institute of Mining and Metallurgy

Geotechnical Engineering

English

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Density Functional Theory-Based Prediction of Some Aqueous-Phase Chemistry of Superheavy Element 111. Roentgenium(I) Is the Softest Metal Ion

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Density Functional Theory-Based Prediction of Some Aqueous-Phase Chemistry of Superheavy Element 111. Roentgenium(I) Is the Softest Metal Ion

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Density Functional Theory

Photosynthesis Research

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Prediction of 89Y NMR Chemical Shifts in Organometallic Complexes With Density Functional Theory

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Aqueous Solvation of Polyalanine Α-Helices With Specific Water Molecules and With the CPCM and SM5.2 Aqueous Continuum Models Using Density Functional Theory

Journal of Physical Chemistry B

Surfaces

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Polar-Solvation Classical Density-Functional Theory for Electrolyte Aqueous Solutions Near a Wall

Condensed Matter Physics

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2016

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Density Functional Theory of Freezing: Analysis of Crystal Density

Journal of Chemical Physics

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Dynamic Density Functional Theory of Fluids

Journal of Chemical Physics

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High-Throughput Prediction of the Ground-State Collinear Magnetic Order of Inorganic Materials Using Density Functional Theory

npj Computational Materials

Mechanics of Materials

Materials Science

Simulation

Computer Science Applications

Modeling

2019

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Amanote Research

Discover open access scientific publications

Search, annotate, share and cite publications

Publications by C.G.C.E. van Sittert

Density Functional Theory Prediction of the Aqueous Speciation of ZrF4 and HfF4

Related publications

Density Functional Theory-Based Prediction of Some Aqueous-Phase Chemistry of Superheavy Element 111. Roentgenium(I) Is the Softest Metal Ion

Density Functional Theory-Based Prediction of Some Aqueous-Phase Chemistry of Superheavy Element 111. Roentgenium(I) Is the Softest Metal Ion

Density Functional Theory

Prediction of 89Y NMR Chemical Shifts in Organometallic Complexes With Density Functional Theory

Aqueous Solvation of Polyalanine Α-Helices With Specific Water Molecules and With the CPCM and SM5.2 Aqueous Continuum Models Using Density Functional Theory

Polar-Solvation Classical Density-Functional Theory for Electrolyte Aqueous Solutions Near a Wall

Density Functional Theory of Freezing: Analysis of Crystal Density

Dynamic Density Functional Theory of Fluids

High-Throughput Prediction of the Ground-State Collinear Magnetic Order of Inorganic Materials Using Density Functional Theory