Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances [PDF]
Digital Discovery 2, 1911 (2023), 2023Zeolites are inorganic materials known for their diversity of applications, synthesis conditions, and resulting polymorphs. Although their synthesis is controlled both by inorganic and organic synthesis conditions, computational studies of zeolite synthesis have focused mostly on organic template design.
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Monte Carlo Simulation of Sugar Synthesis on Icy Dust Particles Intermittently Irradiated by UV in a Protoplanetary Disk [PDF]
A&A 662, A76 (2022), 2022Context. While synthesis of organic molecules in molecular clouds or protoplanetary disks is complex, observations of interstellar grains, analyses of carbonaceous chondrites, and UV photochemistry experiments are rapidly developing and providing constraints on and clues to the complex organic molecule synthesis in space. It motivates us to construct a
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Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4 [PDF]
CrystEngComm, 2018, 20, 3543, 2021We report the synthesis and crystal structure of an organic inorganic compound, ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4. Synchrotron based single crystal X-ray diffraction experiments revealed that the pristine and thermally treated crystals differ in the organic cation behaviour, which is characterized by a partial disorder in the thermally ...
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Proceedings Second Workshop on Synthesis [PDF]
EPTCS 142, 2014, 2014Software synthesis is rapidly developing into an important research area with vast potential for practical application. The SYNT Workshop on Synthesis aims to bringing together researchers interested in synthesis to present both ongoing and mature work on all aspects of automated synthesis and its applications. The second iteration of SYNT took place
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Organic crystalline polymers: structural properties and way to synthesis under high pressure [PDF]
CrystEngComm, 2018,20, 4003-4011, 2018We consider different structures, which can be obtained by polymerization of aromatic organic molecules under high pressures. These 2D and 3D covalently bonded organic polymers and their functionalization can pave the way to production of energy storage and conversion devices. High-pressure synthesis might serve as a useful hint for production of these
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Mining Insights on Metal-Organic Framework Synthesis from Scientific Literature Texts [PDF]
arXiv, 2021Identifying optimal synthesis conditions for metal-organic frameworks (MOFs) is a major challenge that can serve as a bottleneck for new materials discovery and development. Trial-and-error approach that relies on a chemist's intuition and knowledge has limitations in efficiency due to the large MOF synthesis space.
arxiv
AbsSynthe: abstract synthesis from succinct safety specifications [PDF]
EPTCS 157, 2014, pp. 100-116, 2014In this paper, we describe a synthesis algorithm for safety specifications described as circuits. Our algorithm is based on fixpoint computations, abstraction and refinement, it uses binary decision diagrams as symbolic data structure. We evaluate our tool on the benchmarks provided by the organizers of the synthesis competition organized within the ...
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Synthesis of infinite-layer LaNiO2 films by metal-organic deposition [PDF]
, 2008We report the synthesis of infinite-layer LaNiO2 thin films by metal organic decomposition. Our work is aimed to synthesize perovskite-like oxides with 3d9 electronic configuration, which is common to high-Tc copper oxides. The 3d9 configuration is very rare in oxides other than cuprates. Ni1+ oxides, even though Ni1+ is an unusual oxidation state, may
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Proceedings 3rd Workshop on Horn Clauses for Verification and Synthesis [PDF]
EPTCS 219, 2016, 2016This volume contains the proceedings of HCVS 2016, the Third Workshop on Horn Clauses for Verification and Synthesis which was held on April 3, 2016 in Eindhoven, The Netherlands as a satellite event of the European Joint Conferences on Theory and Practice of Software (ETAPS 2016).
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Structural and Magnetic Study of Metallo-Organic YIG Powder Using 2-ethylhexanoate Carboxylate Based Precursors [PDF]
, 2018The crystallization and magnetic behavior of yttrium iron garnet (YIG) prepared by metallo-organic decomposition (MOD) method are discussed. The chemistry and physics related to synthesis of iron and yttrium carboxylates based on 2-ethylhexanoic acid (2EHA) are studied, since no literature was found which elucidates synthesis of metallo-organic ...
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