Density functional theory of freezing for binary mixtures of 2D superparamagnetic colloids

2014 ◽  
Vol 26 (46) ◽  
pp. 465101 ◽  
Author(s):  
Manjori Mukherjee ◽  
Pankaj Mishra ◽  
Hartmut Löwen
Keyword(s):  
Density Functional Theory ◽  
Binary Mixtures ◽  
Density Functional ◽  
Functional Theory

Bulk phase behavior and interfacial properties of binary mixtures of Lennard-Jones chains and solvent: a Density Functional Theory Study

Soft Matter ◽  
2022 ◽  
Author(s):  
Sergei A Egorov
Keyword(s):  
Phase Diagram ◽  
Density Functional Theory ◽  
Phase Behavior ◽  
Binary Mixtures ◽  
Density Functional ◽  
Interfacial Properties ◽  
Bulk Phase ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Lennard Jones

A Density Functional Theory study is performed to analyze both bulk and interfacial properties of solvent-polymer binary mixtures. The effects of increasing polymer chain length on the bulk phase diagram...

Noncovalent interactions underlying binary mixtures of amino acid based ionic liquids: insights from theory

2017 ◽  
Vol 19 (43) ◽  
pp. 29561-29582 ◽  
Author(s):  
Soniya S. Rao ◽  
Libero J. Bartolotti ◽  
Shridhar P. Gejji
Keyword(s):  
Density Functional Theory ◽  
Ionic Liquids ◽  
Amino Acid ◽  
Glutamic Acid ◽  
Aspartic Acid ◽  
Binary Mixtures ◽  
Density Functional ◽  
Noncovalent Interactions ◽  
Functional Theory ◽  
Dicarboxylic Amino Acid

Mixtures of ionic liquids formed by blending a common 1-methyl-3-butylimidazolium [Bmim] cation with the dicarboxylic amino acid anions viz., aspartic acid [Asp], asparagine [Asn], glutamic acid [Glu], and glutamine [Gln], have been investigated by employing dispersion corrected density functional theory.

Doping effects on the geometric and electronic structure of tin clusters

2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Beam Deflection ◽  
Functional Theory ◽  
Doping Effects ◽  
Depth Analysis ◽  
Trajectory Simulations

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.

What correlation effects are covered by density functional theory?

2000 ◽  
Vol 98 (20) ◽  
pp. 1639-1658 ◽  
Author(s):  
Yuan He, Jurgen Grafenstein, Elfi Kraka,
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Correlation Effects ◽  
Functional Theory
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