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Major IBs Slash S. Korea’s Growth Forecast for This Year to Average of 2.3%

[Economy] :
Global investment banks have slashed their growth outlook for South Korea for this year. According to the Korea Center for International Finance on Friday, the growth forecast by eight foreign investment banks averaged two-point-three percent at the end of October, representing a zero-point-two percentage ...

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Czech Delegation to Visit S. Korea for Final Contract Negotiations for Nuclear Deal

[Economy] :
A large delegation representing Czech power authorities will make a two-week visit to South Korea for working-level negotiations ahead of the conclusion of a final contract for the Czech nuclear power plant project.  Korea Hydro and Nuclear Power(KHNP), which was selected in July as the preferred bidder ...

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Bitcoin Soars Past $88,000 to New High

[Economy] :
The price of Bitcoin has crossed the 80-thousand-dollar mark for the first time, just days after Donald Trump’s reelection to the U.S. presidency.    According to the U.S. cryptocurrency exchange platform Coinbase, the world’s most popular cryptocurrency was trading at 88-thousand-413 U.S. dollars at ...

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Won Weakens, Trading at more than 1,400 per Dollar

[Economy] :
The South Korean won weakened past the psychological threshold of 14-hundred won against the U.S. dollar on Tuesday, after Donald Trump’s victory in the U.S. presidential election last week.  The South Korean currency traded at 14-hundred-point-seven won per dollar as of 9:05 a.m. Tuesday, six won more ...

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KDI Revises Down Growth Outlook for This Year to 2.2%

[Economy] :
A state-run institute has revised down this year’s growth outlook by zero-point-three percentage point to two-point-two percent. In August, the Korea Development Institute(KDI) said it expected the economy to expand two-point-five percent in 2024. The institute said the economic recovery has weakened as ...

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S. Koreans View Marriage, Childrearing More Favorably than 2 Years Ago

[Economy] :
South Koreans appear to hold more favorable views of marriage and childrearing than they did two years ago. According to Statistics Korea on Tuesday, 52-point-five percent of some 36-thousand people aged 13 and older polled in May said people should get married, up two-point-five percentage points from ...

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Won Weakens, Trading at More than 1,400 per Dollar

[Economy] :
The South Korean won weakened past the psychological threshold of 14-hundred won against the U.S. dollar on Tuesday, after Donald Trump’s victory in the U.S. presidential election last week.  The South Korean currency traded at 14-hundred-three-point-five won per dollar as of 3:30 p.m. Tuesday, ...

[more...]




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Import Prices Jump 2.2% in October, Largest Gain in 6 Months

[Economy] :
The country’s import prices jumped more than two percent in October due to the won’s depreciation against the U.S. dollar and a rise in global oil prices.  According to data from the Bank of Korea on Wednesday, the country’s import price index reached 137-point-61 in October, up two-point-two ...

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Senior Management Board - British Geological Survey

Senior Management Board  British Geological Survey




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Hydrocarbon systems - British Geological Survey

Hydrocarbon systems  British Geological Survey












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A-roaring display - British Geological Survey

A-roaring display  British Geological Survey
















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2-Amino-5-oxo-4-(thio­phen-2-yl)-5,6,7,8-tetra­hydro-4H-chromene-3-carbo­nitrile

In the crystal structure of the title compound, inter­molecular N—H⋯N and N—H⋯O hydrogen bonds form a two-dimensional supra­molecular network along the ac plane, contributing to the cohesion of the crystal.




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Structural insights into 1,4-bis­(neopent­yloxy)pillar[5]arene and the pyridine host–guest system

The crystal structure of a neo­pentyl­oxypillar[5]arene with two pyridine mol­ecules encapsulated in the macrocyclic cavity is reported.




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2,4-Di­chloro-6-{N-[2-(tri­fluoro­meth­yl)phen­yl]carboximido­yl}phenol

The title compound was synthesized by the condensation between tri­fluoro­methyl­aniline and di­chloro­salicyl­aldehyde by nucleophilic addition, forming a hemiaminal, followed by a dehydration to generate an imine. The compound crystallizes in an ortho­rhom­bic Pbca (Z = 8) space group with a dihedral angle of 44.70 (5)° between the two aromatic rings. In the crystal, the mol­ecules pack together to form a zigzag pattern along the c axis.




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Ethyl (2RS,3SR,4RS)-1-ethyl-2-(furan-2-yl)-4-hy­droxy-5-oxopyrrolidine-3-carboxyl­ate

The crystal structure of a pyrrolidine analogue obtained from the stereoselective reduction of the enolic form of 4-hy­droxy-2-furyl-pyrrole­carboxyl­ate is described.




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Tracking anharmonic oscillations in the structure of β 1,3-diacetylpyrene

A recently discovered β polymorph of 1,3-diacetylpyrene has turned out to be a prominent negative thermal expansion material. Its unique properties can be linked to anharmonic oscillations in the crystal structure. The onset and development of anharmonic behavior have been successfully tracked over a wide temperature range by single-crystal X-ray diffraction experiments. Sufficient diffraction data quality combined with modern quantum crystallography tools allowed a thorough analysis of the elusive anharmonic effects for a moderate-scattering purely organic compound.




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Exploiting fourth-generation synchrotron radiation for enzyme and photoreceptor characterization

(Time-resolved) macromolecular crystallography at the new ESRF-ID29 beamline is described.




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Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7

A detailed structural characterization of the δ1-MnZn9.7 phase is presented.




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Morphological control for hollow rod crystals of a photochromic di­aryl­ethene on spherulites by surface properties of substrates

1,2-Bis(3,5-di­methyl-2-thienyl)perfluoro­cyclo­pentene formed its own spherulites by sublimation onto the hydro­philic surfaces of the (0001) planes of α-quartz and sapphire substrates. The formation of different morphologies of these spherulites was attributed to the surface properties of each substrate. Depending on the morphology of the spherulites, hollow rod crystals with cross sections of different sizes and shapes and branching structures were generated on the surfaces of the spherulites.




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Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks

The hydro­thermal synthesis and structural characterization of four novel 3D pillared-layer metal–organic frameworks are studied, revealing how the malleability of copper coordination geometries drives diverse supramolecular isomerism. The findings provide new insights into designing advanced hybrid materials with tailored properties, emphasizing the significant role of reaction conditions and metal ion flexibility in determining network topologies.




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Variable stoichiometry and salt-cocrystal intermediate in the multicomponents of flucytosine: structural elucidation and its impact on stability

Five multicomponent solid forms of an antifungal drug flucytosine are reported with a hygroscopic stability study. A detailed CSD search on the cocrystal/salts of flucytosine is evaluated and correlated the structures based on bond angles and bond distances.




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Seed layer formation by deposition of micro-crystallites on a revolving substrate: modeling of the effective linear elastic, piezoelectric, and dielectric coefficients

The rotating substrate method of crystallite deposition is modeled, allowing computation of effective material coefficients of the layers resulting from the averaging. A worked numerical example particularized to 6mm ZnO is provided.




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Selective Acceleration and Inhibition of Crystal Growth of Glass Carbamazepine by Low-Concentration Poly(ethylene oxide):Effects of Drug Polymorph

Low-concentration poly(ethylene oxide) exhibit the polymorph-dependent effects on both the surface and bulk crystal growth of carbamazepine polymorphs. These polymorph-dependent effects of PEO were mainly attributed to the polymer enrichment at the interface and different crystal surface-polymer interactions.




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Density functional theory investigation of the phase transition, elastic and thermal characteristics for AuMTe2(M = Ga, In) chalcopyrite compounds

This study presents the first theoretical predictions of the phase transitions, elastic properties, and thermal behavior of AuMTe2 (M = Ga, In) chalcopyrite compounds. Using density functional theory and the quasi-harmonic Debye model, key mechanical and thermodynamic properties are analyzed, offering insights valuable for future experimental validation.




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Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates

Sublimation methods utilizing the surface properties of substrates can address the challenge of controlling hollow morphologies in rod crystals. Spherulites were formed on the hydrophilic surface of the (0001) planes of α-quartz and sapphire substrates by sublimation of 1,2-bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene (1a). Various types of hollow morphologies, distinguished by the size and shape of their cross sections and by the presence or absence of branching structures, were formed separately on α-quartz and sapphire substrates. Such precise control of the hollow morphologies was attributed to the wettability of each substrate, leading to the formation of spherulites of 1a. In addition, it was indicated that the formation process of the surface morphologies of spherulites was associated with the hollow morphologies of rod crystals of 1a.




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Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7

A detailed structural analysis of the Zn-rich δ1-MnZn9.7 phase using single-crystal X-ray diffraction is presented. The δ1 phase has been synthesized by the high-temperature synthetic route. The structure crystallizes in space group P63/mmc (Pearson symbol hP556) with unit-cell parameters: a = b = 12.9051 (2) Å and c = 57.640 (1) Å. The 556 atoms are distributed over 52 Wyckoff positions in the hexagonal unit cell: seven ordered Mn sites, 37 ordered Zn sites and eight positionally disordered Zn sites. The structure predominantly consists of Frank–Kasper polyhedra (endohedral icosahedra Zn12 and icosioctahedron Zn16) and four distinct types of glue Zn atoms. The structure comprises a 127-atom supercluster (Mn13Zn114), a 38-atom extended Pearce cluster (Mn3Zn35), a 46-atom L-tetrahedron (Mn4Zn42), a Friauf polyhedron (Zn17), a disordered icosahedral cluster (MnZn12) and four glue Zn atoms. Positionally disordered Zn sites around an Mn site can be visualized as the superimposition of three differently oriented Zn12 icosahedra.




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Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles

A novel approach to computationally enhance the sampling of molecular crystal structures is proposed and tested. This method is based on the use of extended variables coupled to a Monte Carlo based crystal polymorph generator. Inspired by the established technique of quasi-random sampling of polymorphs using the rigid molecule constraint, this approach represents molecular clusters as extended variables within a thermal reservoir. Polymorph unit-cell variables are generated using pseudo-random sampling. Within this framework, a harmonic coupling between the extended variables and polymorph configurations is established. The extended variables remain fixed during the inner loop dedicated to polymorph sampling, enforcing a stepwise propagation of the extended variables to maintain system exploration. The final processing step results in a polymorph energy landscape, where the raw structures sampled to create the extended variable trajectory are re-optimized without the thermal coupling term. The foundational principles of this approach are described and its effectiveness using both a Metropolis Monte Carlo type algorithm and modifications that incorporate replica exchange is demonstrated. A comparison is provided with pseudo-random sampling of polymorphs for the molecule coumarin. The choice to test a design of this algorithm as relevant for enhanced sampling of crystal structures was due to the obvious relation between molecular structure variables and corresponding crystal polymorphs as representative of the inherent vapor to crystal transitions that exist in nature. Additionally, it is shown that the trajectories of extended variables can be harnessed to extract fluctuation properties that can lead to valuable insights. A novel thermodynamic variable is introduced: the free energy difference between ensembles of Z' = 1 and Z' = 2 crystal polymorphs.




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Parameterized absorptive electron scattering factors

In electron diffraction, thermal atomic motion produces incoherent scattering over a relatively wide angular range, which appears as a diffuse background that is usually subtracted from measurements of Bragg spot intensities in structure solution methods. The transfer of electron flux from Bragg spots to diffuse scatter is modelled using complex scattering factors f + if' in the Bloch wave methodology. In a two-beam Einstein model the imaginary `absorptive' scattering factor f' can be obtained by the evaluation of an integral containing f over all possible scattering angles. While more sophisticated models of diffuse scatter are widely used in the electron microscopy community, it is argued in this paper that this simple model is appropriate for current structure solution and refinement methods. The two-beam model is a straightforward numerical calculation, but even this simplistic approach can become time consuming for simulations of materials with large numbers of atoms in the unit cell and/or many incident beam orientations. Here, a parameterized form of f' is provided for 103 elements as neutral, spherical atoms that reduces calculation time considerably.