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New Paper Published in Nature Communications titled, “Exact exchange-correlation potentials from ground-state electron densities”
Published titled Exact potentials electron densities
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2019/10/10
The quest for accurate exchange-correlation functionals has long remained a grand challenge in density functional theory (DFT), as it describes the many-electron quantum mechanical behavior through a ...
Nuclear Magnetic Resonance of Photoexcited Triplet States. I. The Measurement of the Rate of Degenerate Singlet-Triplet Exchange for Anthracene in Solution
Nuclear Magnetic Resonance Photoexcited Triplet States Measurement Degenerate Singlet-Triplet Exchange for Anthracene
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2016/5/20
The N M R spectroscopy of molecules undergoing rapid exchange between diamagnetic and paramagnetic environments is well understood and is exemplified in studies of fast electron transfer between an or...
Prediction of the derivative discontinuity in density functional theory from an electrostatic description of the exchange and correlation potential
derivative discontinuity Prediction density functional theory electrostatic description correlation potential
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2011/8/5
Abstract: We propose a new approach to approximate the exchange and correlation (XC) functional in density functional theory. The XC potential is considered as an electrostatic potential, generated by...
Mesoporous Platinum Electrodes for Amperometric Determination of Sugars with Anion Exchange Chromatography
Mesoporous Platinum Electrodes Amperometric Determination Sugars
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2010/9/17
A simple amperometric detection (AD) method based on mesoporous platinum (Pt) electrodes has been developed for the determination of sugars (glucose, fructose, and sucrose) with high-performance anion...
Performance evaluation of platinum-based catalysts for the development of proton exchange membrane fuel cells
Methanol catalysts cyclic voltammetry PEM fuel cell
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2010/10/15
Platinum-based catalysts are considered the most efficient catalysts for triggering electrochemical reactions in proton exchange membrane (PEM) fuel cells. In the present study, commercial catalysts c...
Simultaneous Determinations of Cr(VI) and Cr(III) by Ion-Exclusion/Cation-Exchange Chromatography with an Unmodified Silica-Gel Column
Cr(VI) Cr(III) Ion-Exclusion/Cation-Exchange Chromatography an Unmodified Silica-Gel Column
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2010/9/19
In order to characterize the ion-exclusion and cation-exchange properties of an unmodified silica-gel column, the retention behaviors of Cr(VI) and Cr(III) ions were investigated using a Develosil 30-...
Sequential Injection-Cation Exchange Micro-column System for Hemoglobin Typing to Differentiate HbE Carriers
Sequential Injection-Cation Exchange Micro-column System Hemoglobin Typing HbE Carriers
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2010/9/19
A weak cation exchange micro-column was incorporated into a sequential injection (SI) system to perform automatic hemoglobin (Hb) typing as an alternative way to measure HbE. Separation of HbF, HbA an...
Chiral Separations by Ligand-Exchange Micellar Electrokinetic
chiral separation micellar electrokinetic chromatography microemulsion electrokinetic chromatography ligand exchange
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2007/12/13
Chiral Separations by Ligand-Exchange Micellar Electrokinetic。
高分散度Pt-Ir疏水催化剂制备及氢-水液相交换催化性能研究（Highly Dispersed Pt-Ir Hydrophobic Catalysts: Preparation and Catalytic Activity for Hydrogen-water Liquid Exchange Reaction）
疏水催化剂 氢-水液相催化交换 氢同位素分离 微波加热法 Pt-Ir/C
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2010/8/18
用乙二醇作为碳黑分散溶剂，微波辐射快速加热，1～2 MPa压力下制备了Pt/C及不同Pt、Ir比例的Pt-Ir/C催化剂，用浸渍还原法制备了Pt-Ir/C催化剂，并用XRD，TEM和XPS对催化剂进行了表征。将两种方法制备的Pt/C，Pt-Ir/C催化剂与聚四氟乙烯(PTFE)一起负载于多孔金属载体，得到疏水催化剂，考查了其对氢-水液相交换反应的催化活性。微波辐射加热法制备的Pt/C和Pt-Ir...
Glycine Transport through a Charged Polysulfone Cation Exchange Membrane
amino acid transport charged membranes permeability glycine
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2010/4/22
The transport of glycine through a charged polysulfone cation exchange membrane was studied as a function of pH at different initial conditions of less than pH 5.9 and the glycine permeability was exp...
The Sorption of Metals on the Polysulfone Cation Exchange Membranes
Sorption charged membranes permselectivity ion-exchange isotherm
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2010/6/27
The sorption of NaCl and CaCl2 and monovalent-divalent cation salt mixtures on the polysulfone and polysulfone with polyester support cation exchange membranes were investigated. The sorption of monov...
Synthesis of the New Cation Exchange Resins Having Poly (Styrene-Caprolactone) Units
Synthesis of the New Cation Exchange Styrene-Caprolactone Units
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2010/8/15
The crosslinked polystyrene-polycaprolactone , PS-PCL-, block copolymers were prepared by the copolymerization of styrene and poly(caprolacton dimethylmethacrylate) (PCL-DM). The molecular weights of ...