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Controlled engineering of nano-sized FeOOH@ZnO hetero-structures on reduced graphene oxide for lithium-ion storage and photo-Fenton reaction

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CrystEngComm, 2020, 22,2827-2836
DOI: 10.1039/D0CE00171F, Paper
Binghui Xu, Xin Dai, Qingke Tan, Yuan Wei, Gonggang Liu, Guanglei Wu
In this work, a nano-sized goethite and zinc oxide hetero-structure (FeOOH@ZnO) dispersed on reduced graphene oxide (RGO) sheets was synthesized for the first time to construct a ternary composite (FeOOH@ZnO/RGO) via a stepped graphene oxide (GO) deoxygenation process.
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Machine learning methods to predict the crystallization propensity of small organic molecules

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CrystEngComm, 2020, 22,2817-2826
DOI: 10.1039/D0CE00070A, Paper
Florbela Pereira
Machine learning algorithms were explored for the prediction of the crystallization propensity based on molecular descriptors and fingerprints generated from 2D chemical structures and 3D chemical structures optimized with empirical methods.
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Synthesis of all-silica hollow zeolites by selective demetallation

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CrystEngComm, 2020, 22,2845-2848
DOI: 10.1039/D0CE00263A, Paper
Open Access
Teng Li, Frank Krumeich, Jeroen A. van Bokhoven
Exploiting the protective role of extra-framework aluminum species on the crystal rim, all-silica hollow zeolites are efficiently produced by demetallation.
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Discovery of new polymorphs of the tuberculosis drug isoniazid

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CrystEngComm, 2020, 22,2705-2708
DOI: 10.1039/D0CE00440E, Communication
Keke Zhang, Noalle Fellah, Alexander G. Shtukenberg, Xiaoyan Fu, Chunhua Hu, Michael D. Ward
Two new metastable polymorphs of the tuberculosis drug isoniazid, considered monomorphic for sixty years, were discovered using melt crystallization and nanoscale confinement.
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Investigation on the interconversion from DMF-solvated to unsolvated copper(II) pyrazolate coordination polymers

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00370K, Paper
Corrado Di Nicola, Alessia Tombesi, Marco Moroni, Rebecca Vismara, Fabio Marchetti, Riccardo Pettinari, Luca Nardo, Guglielmo Vesco, Simona Galli, Silvia Casassa, Luciano Pandolfo, Claudio Pettinari
Enlarging the family of CPs with the {Cu(μ-pz)2} building unit: synthesis, thermal behaviour, crystal structure and spectroscopic properties of [Cu(μ-4-Xpz)2(μ-DMF)]n (4-Xpz = 4-Xpyrazolate, X = H, Cl, Br, I) and the non-solvated counterparts.
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Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00317D, Paper
Zhen-Li Yang, Jian Qin, Jun- Qing Yang , Jianguo Zhang
Research on novel energetic coordination polymers (ECPs) is becoming increasingly important for energetic materials, numerous ECPs were reported and found to be potential energetic materials. In this study, 4,5-dicarboxylic-1,2,3-triazolean was...
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Mesoporogen-free synthesis of hierarchical HZSM-5 for LDPE catalytic cracking

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00255K, Paper
Yunhao Zang, Jinying Wang, Jianfeng Gu, Jiangying Qu, Feng Gao
Herein, a mesoporogen-free, and steam-assisted route is proposed to synthesize highly crystalline hierarchical HZSM-5 using Stöber silica spheres as the precursor. The effect of crystallization time on the morphology and...
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A water-stable terbium metal-organic framework with functionalized ligands for the detection of Fe3+, Cr2O72- ions in water and picric acid in seawater

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00430H, Paper
Hai-Huan Yu, Jia-Qi Chi, Zhong-Min Su, Xiao Li, Jing Sun, Chen Zhou, Xiao-Li Hu, Qun Liu
The existence of Cr2O72- anions, excessive Fe3+ cations in water and picric acid in seawater have irreversible harm to human health and aquatic organism. Herein, a water-stable terbium metal-organic framework...
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Freezing-induced silk I crystallization of silk fibroin

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00360C, Paper
Xiufang Li, Qunmei Fan, Qiang Zhang, Shuqin Yan, Renchuan You
Thermal annealing strongly impacts the crystallization of proteins. Despite the fundamental importance for the crystallization of silk fibroin, the underlying crystallization kinetics of silk fibroin in freezing state has not...
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Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00204F, Paper
Zhi-Ping Shi, Guo-Bin Ren, Ming-Hui Qi, Zhong Li, Xiaoyong Xu
Based on reported isomorphism of Azoxystrobin (AZO) solvates, five novel AZO solvates, including dimethyl succinate solvate (AZO-DMS), ethyl butyrate solvate (AZO-EB), thiophene solvate (AZO-TP), furan solvate (AZO-FN), and 1,2-diethoxyethane solvate...
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Substituent effects on the crystallization mechanisms of 7-chloro-4-substituted-quinolines

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00214C, Paper
João P. P. Copetti, Paulo R. S. Salbego, Tainára Orlando, Jéssica M. L. Rosa, Gabriela F. Fiss, João P. G. de Oliveira, Mário L. A. A. Vasconcellos, Nilo Zanatta, Helio G. Bonacorso, Marcos A. P. Martins
The crystallization mechanisms of a series of fourteen 7-chloro-4-substituted-quinolines were proposed based on a retrocrystallization approach using the supramolecular cluster as demarcation.
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Effect of dilution in a hydrothermal process and post-synthetic annealing on the tailoring of hierarchical ZnO nanostructures

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CrystEngComm, 2020, 22,3059-3069
DOI: 10.1039/D0CE00310G, Paper
Smriti Thakur, Sanjay K. Mandal
Morphology transformation and dimensionality change as a result of dilution and post-synthetic annealing are reported.
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Cocrystals/salt of 1-naphthaleneacetic acid and utilizing Hirshfeld surface calculations for acid–aminopyrimidine synthons

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CrystEngComm, 2020, 22,2978-2989
DOI: 10.1039/D0CE00106F, Paper
Utsav Garg, Yasser Azim, Aranya Kar, Chullikkattil P. Pradeep
Revisit of acid–aminopyrimidine synthons to explore the robustness in presence of linear hetrotetramer and heterotrimer synthon.
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Effect of particle size and morphology on the performance of BiFeO3–PDMS piezoelectric generators

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CrystEngComm, 2020, 22,2919-2925
DOI: 10.1039/D0CE00067A, Paper
Kohei Yoshiyama, Masae Mori, Manabu Hagiwara, Shinobu Fujihara
The effect of the size and morphology of piezoelectric BiFeO3 particles on the performance of BiFeO3–PDMS composite generators is revealed.
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Formation mechanism and size control of ceria nanocubes

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CrystEngComm, 2020, 22,3033-3041
DOI: 10.1039/D0CE00224K, Paper
Chunyan Dong, Yan Zhou, Na Ta, Wenjie Shen
Ceria nanocubes of 10–20 nm were hydrothermally synthesized, involving Ce(OH)3 rods and small-sized CeO2 polyhedra/cubes as building blocks.
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Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology

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CrystEngComm, 2020, 22,2933-2944
DOI: 10.1039/D0CE00275E, Paper
Anna Goldman, Beatriz Gil-Hernández, Simon Millan, Serkan Gökpinar, Christian Heering, Ishtvan Boldog, Christoph Janiak
The prototypal [M2(EtBCP)2(DABCO)0.5] MOFs, compliant with isoreticular expansion in two-dimensions, show flexibility manifested by a two-step CO2 adsorption isotherm, which might be associated to the “lever-action” of the metal-phosphonate moieties.
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A three-in-one crystal of mixed sized cucurbit[n]uril homologues

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CrystEngComm, 2020, 22,2900-2903
DOI: 10.1039/D0CE00296H, Communication
Oksana Danylyuk, Volodymyr Sashuk
Crystallization-driven self-assembly of three macrocyclic members of the cucurbit[n]uril family is explained by the cumulative effect of multiple C–H⋯O hydrogen bonds.
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Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3',4,4'-tetracarboxylic diimide units

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CrystEngComm, 2020, 22,2964-2969
DOI: 10.1039/D0CE00221F, Paper
Masahide Tominaga, Kosuke Mizuno, Haruka Yamamoto, Tadashi Hyodo, Kentaro Yamaguchi
Crystallization of a diimide-based macrocycle having adamantane parts and several cyclic ethers in chloroform provided inclusion crystals, where both guests were cooperatively accommodated within inner spaces between the macrocycles.
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An X-shaped cyano–carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00359J, Communication
Zhenfeng Zhang
An X-shaped CN⋯CO interaction, which plays a critical role in dictating the molecule conformation and crystal packing patterns, has been found to occur on the polar surface of (cyanoacetyl)hydrazones, and is rationalized by density functional theory calculations.
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A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(II) complexes and their strong fluorescence behaviors

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CrystEngComm, 2020, 22,3005-3019
DOI: 10.1039/D0CE00125B, Paper
Ipsita Mondal, Tanmoy Basak, Snehasis Banerjee, Shouvik Chattopadhyay
A reduced Schiff base used as a fluorescence chemo-sensor for selective detection of zinc(II). Strong fluorescence behaviors of two zinc(II) complexes are correlated with the presence of a rigid hydrogen-bonded network in their solid state structure.
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Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine – 3- methylsalicylic acid co-crystal

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00498G, Paper
Dipali Ahuja, Michael Svärd, Matteo Lusi, Ake Rasmuson
A new 1:1 co-crystal of sulfamethazine (API, SMT) and 3-methylsalicylic acid (coformer, 3mSA) has been synthesized and its crystal structure solved by single crystal X-ray diffraction (XRD). The co-crystal has...
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Modified Floating-Zone Crystal Growth of Mg4Ta2O9 and Its Scintillation Performance

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00388C, Paper
Dongsheng Yuan, Federico Moretti, Didier Perrodin, Gregory Bizarri, Tetiana Shalapska, Christophe Dujardin, Edith Bourret
Aiming to explore scintillator candidates for high-energy radiography, the environmentally friendly compound Mg4Ta2O9 was selected. Bulk crystals of good optical quality are needed to evaluate its scintillation performance against other...
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The impact of positional isomerism on electronic and photochromic properties of 1D zinc-based naphthalene diimide coordination polymers

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00025F, Paper
Pengfei Hao, Huihui Zhu, Yue Pang, Junju Shen, Yunlong Fu
The positional isomeric DPNDI ligands can effectively modulate the interfacial contacts of electron donors/acceptors and the efficiency of electronic/photochromic properties.
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Conductive zigzag Pd(III)–Br chain complex realized by multiple-hydrogen-bond approach

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00332H, Paper
Mohammad Rasel Mian, Unjila Afrin, Hiroaki Iguchi, Shinya Takaishi, Takefumi Yoshida, Tatsuya Miyamoto, Hiroshi Okamoto, Hisaaki Tanaka, Shin-ichi Kuroda, Masahiro Yamashita
Coexistence of zigzag structure and uncommon Pd(III) oxidation state in quasi-1D halogen-bridged metal complexes was realized in a conductive Br-bridged Pd chain complex, [Pd(dabdOH)2Br]SO4·3H2O (2), for the first time. Intra-...
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Biological activity tuning of antibacterial urotropine via co-crystallization: synthesis, biological activity evaluation and computational insight

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00226G, Paper
Nida Tabassum, Panayiotis C. Varras, Fiza Arshad, Muhammad I. Choudhary, Sammer Yousuf
Urotropine (1) is a synthetic heterocyclic antibacterial agent.
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Open metal site (OMS) and Lewis basic site (LBS)-functionalized copper–organic framework with high CO2 uptake performance and highly selective CO2/N2 and CO2/CH4 separation

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/C9CE02005E, Paper
Cheng He, Chao Hou, Yu Min Wang, Xue Yong Gong, Hong Li Jiang, Yong Bin Sun, Kun Liu, Xiao Qun Cao
A robust porous metal–organic framework with dual functionalities of open metal sites (OMSs) and O-rich Lewis basic sites (LBSs) has been designed and synthesized, and shows high CO2 uptake and excellent selectivity for CO2 over N2 and CH4.
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N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00495B, Paper
John D. Wallis, Alun Christopher Garner, Songjie Yang
Methyl 2,6-diaminobenzoate and its bis-triphenylboron complex show hydrogen bonding from NH2 groups to both oxygen atoms of the carboxylic ester, and there is little difference in the lengths of these...
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Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00136H, Paper
Guoshun Zhang, xiaoqing shang, wei han, lifeng zhang, guolian ren, Shuqiu Zhang
As a quinazolinocarboline alkaloid, dehydroevodiamine (DHED) derived from Evodia rutaecarpa has recently gained attention because it improves memory failure in Alzheimer's mice. However, its solid forms, which have not yet...
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Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00474J, Communication
Gonzalo Campillo-Alvarado, Elizabeth Keene, Dale C. Swenson, Len R MacGillivray
We report supramolecular repurposing of Emtricitabine (FTC, trade name: Emtriva®), a blockbuster FDA-approved anti-HIV agent. FTC is revealed to act as a hydrogen-bonded cleft for bipyridine recognition. The supramolecular repurposing...
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Pseudosymmetric layers in high-Z' and P1 structures of organic molecules

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00302F, Paper
Carolyn Pratt Brock
Layers having obvious approximate symmetry higher than that of the overall 3-D crystal are present in 20–25% of the Z' > 4 and P1 organic structures archived in the Cambridge Structural Database. In some structures different types of layers alternate.
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Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00408A, Paper
Open Access
Alice M Bumstead, María Laura Ríos Gómez, Michael Francis Thorne, Adam F. Sapnik, Louis Longley, Joshua Mark Tuffnell, Dean S Keeble, David A. Keen, Thomas Douglas Bennett
Recently, there has been growing interest in the amorphous states of metal–organic frameworks (MOFs). Particular focus has been given to melt-quenched MOF glasses. In this work, to improve our understanding...
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Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00475H, Paper
Zhenzhen Jiang, Ping Zhou, Tingting Xu, Lihui Fan, Simin Hu, Jingxian Chen, Yabing He
A pair of Co-based MOFs exhibited inorganic acid-driven structural diversities, and one of them displayed the C2H2 separation and purification potential.
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A crystalline solid adduct of sulfathiazole-amantadine: The first dual-drug molecular salt containing both antiviral and antibacterial ingredients

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00368A, Paper
Ling-Yang Wang, Yueming Yu, Ming-Chao Yu, Yan-Tuan Li, Zhi-Yong Wu, Cui-Wei Yan
The first molecular salt concurrently combining antibacterial drug sulfathiazole (SFZ) and antiviral constituent amantadine (ATD) is designed and successfully synthesized via salification strategy. The precise structure of the newly obtained...
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Strong stacking interactions at large horizontal displacements of tropylium and cyclooctatetraenide ligands of transition metal complexes: crystallographic and DFT study

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00501K, Paper
Dusan P Malenov, Snezana D Zaric
Cambrigde Structural Database search was performed in order to study stacking interactions of 7-membered tropylium ring and 8-membered cyclooctatetraenide (COT) ring, coordinated to transition metals via their π-electrons. The search...
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Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00423E, Paper
Abraham Colin-Molina, Diego Velazquez-Chavez, Marcus Jellen, Lizbeth A. Rodríguez-Cortés, Miguel Eduardo Cifuentes Quintal, Gabriel Merino, Braulio Rodríguez-Molina
Two new compounds 2 and 3 and their deuterated analogues 2-d4 and 3-d4 have been prepared from Ullmann-type coupling reactions. Both showed good emissive properties in solution ΦF = 0.13...
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Unraveling atomic-scale crystallization and microstructural evolution of selective laser melted FeCrNi medium-entropy alloy

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00358A, Paper
Haotian Chen, Qihong Fang, Kun Zhou, Y. Liu, Jia Li
Selective laser melting (SLM) provides a flexibility to manufacture the components with complex structures. However, the unexpected crystallization and the dynamical microstructural evolution at atomic scale still remains unknown during...
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The glory of the Nizam's palaces

By www.rediff.com
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With the opening of the majestic and splendid Chowmahalla palace of Nizams of Hyderabad, comprising of five beautiful structures in different architectural styles, from today the people are finally able to see the heritage of Asif Jahi dynasty in its full glory.


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Uncertainty shocks and business cycle research [electronic resource] / Jesús Fernández-Villaverde, Pablo A. Guerrón-Quintana

By darius.uleth.ca
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Cambridge, Mass. : National Bureau of Economic Research, 2020


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A method to construct geographical crosswalks with an application to US counties since 1790 [electronic resource] / Fabian Eckert, Andrés Gvirtz, Jack Liang, Michael Peters

By darius.uleth.ca
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Cambridge, Mass. : National Bureau of Economic Research, 2020


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Beyond basis basics [electronic resource] : leverage demand and deviations from the law of one price / Todd M. Hazelkorn, Tobias J. Moskowitz, Kaushik Vasudevan

By darius.uleth.ca
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Cambridge, Mass. : National Bureau of Economic Research, 2020


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Digitization and pre-purchase information : the causal and welfare impacts of reviews and crowd ratings / Imke C. Reimers, Joel Waldfogel

By darius.uleth.ca
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Cambridge, Mass. : National Bureau of Economic Research, 2020


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Austrian perspectives on entrepreneurship, strategy, and organization / Nicolai J. Foss, Peter G. Klein, Matthew McCaffrey.

By darius.uleth.ca
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Cambridge, United Kingdom ; New York, NY : Cambridge University Press, 2019.


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New frontiers in the internationalization of businesses : empirical evidence from indigenous businesses in Canada / Fernando Angulo-Ruiz.

By darius.uleth.ca
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New York : Routledge, 2020.


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Trade, globalization and poverty [electronic resource] / edited by Elias Dinopoulos [and others]

By darius.uleth.ca
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London ; New York : Routledge, 2008


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The coronavirus and the Great Influenza Pandemic [electronic resource] : lessons from the "Spanish Flu" for the coronavirus's potential effects on mortality and economic activity / Robert J. Barro, José F. Ursúa, Joanna Weng

By darius.uleth.ca
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Cambridge, Mass. : National Bureau of Economic Research, 2020


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Macroeconomic implications of COVID-19 [electronic resource] : can negative supply shocks cause demand shortages? / Veronica Guerrieri, Guido Lorenzoni, Ludwig Straub, Iván Werning

By darius.uleth.ca
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Cambridge, Mass. : National Bureau of Economic Research, 2020


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Triage protocol design for ventilator rationing in a pandemic [electronic resource] : integrating multiple ethical values through reserves / Parag A. Pathak, Tayfun Sönmez, M. Utku Ünver, M. Bumin Yenmez

By darius.uleth.ca
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Cambridge, Mass. : National Bureau of Economic Research, 2020


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Isolating the "tech" from EdTech [electronic resource] : experimental evidence on computer assisted learning in China / Yue Ma, Robert W. Fairlie, Prashant Loyalka, Scott Rozelle

By darius.uleth.ca
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Cambridge, Mass. : National Bureau of Economic Research, 2020


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Labor market polarization and the Great Divergence [electronic resource] : theory and evidence / Donald R. Davis, Eric Mengus, Tomasz K. Michalski

By darius.uleth.ca
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Cambridge, Mass. : National Bureau of Economic Research, 2020


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Crime, harm and consumerism [electronic resource] / edited by Steve Hall, Tereza Kuldova, and Mark Horsley.

By darius.uleth.ca
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Abingdon, Oxon ; New York, NY : Routledge, 2020.


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