An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library (open access)

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

This article presents the Automatic Anharmonic Phonon Library.
Date: November 17, 2016
Creator: Plata, Jose J.; Nath, Pinku; Usanmaz, Demet; Carrete, Jesús; Toher, Cormac; de Jong, Maarten et al.
System: The UNT Digital Library
Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method (open access)

Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method

This article presents the calculation of the surface tension of ordinary organic and ionic liquids, based on a computer algorithm applying a refined group-additivity method.
Date: April 16, 2018
Creator: Naef, Rudolf
System: The UNT Digital Library
Solubility and Apparent Specific Volume of Sucrose in Some Aqueous Polyethylene Glycol Mixtures at 298.2 K (open access)

Solubility and Apparent Specific Volume of Sucrose in Some Aqueous Polyethylene Glycol Mixtures at 298.2 K

This article determines and correlates the equilibrium solubility of sucrose in {PEG 200 (or 400) + water} mixtures at 298.2 K.
Date: June 20, 2018
Creator: Tinjacá, Darío; Muñoz, María M.; Rahimpour, Elaheh; Jouyban, Abolghasem; Martínez, Fleming & Acree, William E. (William Eugene)
System: The UNT Digital Library
Hydrogenase Biomimetics with Redox-Active Ligands: Synthesis, Structure, and Electrocatalytic Studies on [Fe₂(CO)₄(κ²-dppn)(µ-edt)] (edt = Ethanedithiolate; dppn = 1,8-bis(Diphenylphosphino)Naphthalene) (open access)

Hydrogenase Biomimetics with Redox-Active Ligands: Synthesis, Structure, and Electrocatalytic Studies on [Fe₂(CO)₄(κ²-dppn)(µ-edt)] (edt = Ethanedithiolate; dppn = 1,8-bis(Diphenylphosphino)Naphthalene)

This article reports the preparation and characterisation of the simple dppn complex,[Fe2(CO)4(κ2-dppn)(µ-edt)], together with an investigation of its proton-reduction ability.
Date: November 20, 2018
Creator: Ghosh, Shishir; Rana, Shahed; Hollingsworth, Nathan; Richmond, Michael G.; Kabir, Shariff E. & Hogarth, Graeme
System: The UNT Digital Library
Nanoextraction Coupled to Liquid Chromatography Mass Spectrometry Delivers Improved Spatially Resolved Analysis (open access)

Nanoextraction Coupled to Liquid Chromatography Mass Spectrometry Delivers Improved Spatially Resolved Analysis

Article describes a study which demonstrates that it is possible to significantly improve the repeatability of the direct analyte-probed nanoextraction (DAPNe) technique by incorporating a liquid chromatography separation step.
Date: November 20, 2019
Creator: Lewis, Holly-May; Webb, Roger P.; Verbeck, Guido F.; Bunch, Josephine; de Jesus, Janella; Costa, Catia et al.
System: The UNT Digital Library