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Substituent effects on the crystallization mechanisms of 7-chloro-4-substituted-quinolines

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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Diminishing accessibility of electrophilic nickel(II) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(II)/sodium complexes: a DFT study using a homodesmotic equation

CrystEngComm, 2020, 22,2970-2977
DOI: 10.1039/D0CE00251H, Paper
Prasanata Kumar Bhaumik, Abhisek Banerjee, Tamal Dutta, Sudipta Chatterjee, Antonio Frontera, Shouvik Chattopadhyay
The ethoxy groups have a dual effect in hindering the attack of the pseudo-halides on the nickel(II) centre and also in stabilizing the complex by intra-molecular interactions.
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Flange union at nanoscale: fabrication and formation mechanism

CrystEngComm, 2020, 22,2914-2918
DOI: 10.1039/D0CE00244E, Paper
Shengliang Zhong, Honghong Zou, Yanhua Ji, Chenghui Zeng, Lei Wang, Yanhong Chen, Hualan Xu
Coordination polymer superstructures connected by a flange union with a good geometry were fabricated. Assembly, disassembly and reassembly process happened during the formation.
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Formation mechanism of porous rose-like WO3 and its photoresponse and stability study

CrystEngComm, 2020, 22,2945-2952
DOI: 10.1039/D0CE00185F, Paper
Jiacheng Yao, Min Zhang, Hongfei Yin, Muhammad Arif, Xiaoheng Liu
Fabrication of rose-like WO3 by chemical bath method.
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Formation mechanism and size control of ceria nanocubes

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.
The content of this RSS Feed (c) The Royal Society of Chemistry




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An Sc-based coordination polymer with concaved superstructures: preparation, formation mechanism, conversion, and their electrochemistry properties

CrystEngComm, 2020, 22,2926-2932
DOI: 10.1039/D0CE00086H, Paper
Hualan Xu, Ran Liu, Yongmei Zhu, Jinjiang Li, Changfeng Wan, Hang Zhang, Chuying Ouyang, Shengliang Zhong
Scandium-based coordination polymer octahedrons with concaved surfaces have been fabricated. The formation mechanism was also investigated. Sc2O3 octahedrons were obtained after simple calcination in a N2 atmosphere.
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Highly porous aluminophosphates with unique three dimensional open framework structures from mild hydrothermal syntheses

CrystEngComm, 2020, 22,3070-3078
DOI: 10.1039/D0CE00075B, Paper
Yucheng Hao, Yang Pan, Yuan Lin, Linbo He, Guangjie Ge, Yu Ruan, Haida Zhou, Yang Xue, Kisan Koirala
Three novel highly porous aluminophosphates were synthesized through mild hydrothermal methods. Interestingly, among them, α-NaAlPO4(OH) is polar and exhibits moderate nonlinear optical properties with a short cutoff edge.
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Two-dimensional porous nickel oxalate thin sheets constructed by ultrathin nanosheets as electrode materials for high-performance aqueous supercapacitors

CrystEngComm, 2020, 22,2953-2963
DOI: 10.1039/D0CE00268B, Paper
Chenglan Zhao, Yuqian Jiang, Shunfei Liang, Fang Gao, Li Xie, Lingyun Chen
2D porous nickel oxalate thin sheets constructed by ultrathin nanosheets were first synthesized by using a simple hydrothermal method. The resulting porous thin sheets exhibited superior supercapacitor performance.
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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

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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Step-by-step: uncommon SCSC transformation accompanied by stepwise change in the binding of a particular ligand within a mononuclear complex upon stepwise desolvation

CrystEngComm, 2020, 22,2895-2899
DOI: 10.1039/D0CE00379D, Communication
Andrey V. Gavrikov, Andrey B. Ilyukhin, Pavel S. Koroteev
Uncommon SCSC transformation when desolvation induces subtle changes within a mononuclear complex, namely a stepwise change in the binding of a particular ligand.
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Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations

CrystEngComm, 2020, 22,2889-2894
DOI: 10.1039/D0CE00397B, Communication
Open Access
Peng Yang, Buthainah Alshankiti, Niveen M. Khashab
Intrinsically porous molecular building blocks are used for the rational design and construction of molecular-level controlled porous materials.
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Targeted crystal growth of uranium gallophosphates via the systematic exploration of the UF4–GaPO4–ACl (A = Cs, Rb) phase space

CrystEngComm, 2020, 22,3020-3032
DOI: 10.1039/D0CE00343C, Paper
Christian A. Juillerat, Vladislav V. Klepov, Mark D. Smith, Hans-Conrad zur Loye
The flux synthesis of a uranium gallophosphate and a uranium gallate, Cs4[UO2Ga2(PO4)4] and Cs2UO2Ga2O5, and 4 uranium phosphates, [Rb2Rb3.93Cl0.93][(UO2)5(PO4)5], Rb11[(UO2)8(PO4)9], Rb7.6[(UO2)8O8.6F0.4(PO4)2], and Rb6[(UO2)5O2(PO4)4], is reported.
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Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3',4,4'-tetracarboxylic diimide units

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.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Lanthanide doped bismuth-based fluoride nanoparticles: controlled synthesis and ratiometric temperature sensing

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00435A, Paper
Pengpeng Lei, Ran An, Chengyu Li, Jing Feng, Hongjie Zhang
Bismuth-based nanoparticles, especially NaBiF4, have attracted extensive attention as hosts of lanthanides (Ln3+) ions and other luminescent ions in recent years. However, controllable synthesis of NaBiF4 nanoparticles remains a challenge....
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The impact of positional isomerism on electronic and photochromic properties of 1D zinc-based naphthalene diimide coordination polymers

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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Mining the Cambridge Database for theoretical chemistry. Mi-LJC: a new set of Lennard-Jones–Coulomb atom–atom potentials for the computer simulation of organic condensed matter

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00334D, Paper
Angelo Gavezzotti, Leonardo Lo Presti, Silvia Rizzato
A novel, universal Lennard-Jones–Coulomb (LJC) atom–atom force field parametrization reproduces the experimental sublimation enthalpies of 377 molecular crystals drawn from the CSD.
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Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00441C, Paper
Gennadiy Kostin, Evgeny Filatov, Denis P Pishchur, Natalia Kuratieva, Sergey Korenev
Second-order phase transformation in double complex salt (DCS) [Pd(NH3)4][RuNO(NO2)4OH] was examined by DSC, single-crystal diffraction and powder diffraction. All data confirms the reversible “order-disorder” phase transition without sharp volume changes...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Biological activity tuning of antibacterial urotropine via co-crystallization: synthesis, biological activity evaluation and computational insight

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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Solvatomorphism and phase transformation of CL-20: probing properties and investigating mechanisms

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00059K, Paper
Bochen Pan, Zhanzhong Wang, Yichun Shen, Liangxiao Wei, Hongyuan Wei, Leping Dang
Five novel CL-20 solvates were prepared and fully characterized, and the solvate formation and phase transformation processes were systematically investigated.
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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

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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Co3O4/MnCO3 heterojunction on three-dimensional nickel foam for enhanced oxygen evolution reaction

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00325E, Paper
Guijin Yang, Botao Zhu, Daqiang Gao, Yujun Fu, Jing Zhao, Jinyun Li
For water electrolysis and metal-air batteries, rational design and preparation of highly efficient and environmentally friendly catalysts for oxygen evolution reactions (OER) is urgently required. Here, abundant Co3O4/MnCO3 heterointerfaces supported...
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Chirality and Stereoisomerism of Organic Multicomponent Crystals in the CSD

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00403K, Paper
Open Access
Eline Grothe, hugo meekes, Rene de Gelder
With the current interest in multicomponent crystals containing chiral residues, a wide variety of studies could benefit from a comprehensive inventory of chirality in multicomponent crystals. We combined computational approaches...
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Pseudosymmetric layers in high-Z' and P1 structures of organic molecules

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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Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties

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

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

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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Unraveling atomic-scale crystallization and microstructural evolution of selective laser melted FeCrNi medium-entropy alloy

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...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Kannur airport all set to receive expatriates: Minister

First flight with passengers from Dubai to land on May 12




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Organic vegetable project for expatriates

Kanjikuzhy panchayat to distribute 10 lakh vegetable saplings on May 20




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The glory of the Nizam's palaces

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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Study Abroad: File a winning application

The GMAT is not the 'be all, end all' of an application.




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

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Medicaid physician fees and access to care among children with special health care needs [electronic resource] / Pinka Chatterji, Sandra Decker, Jason U. Huh

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

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Information acquisition, efficiency, and non-fundamental volatility [electronic resource] / Benjamin M. Hébert, Jennifer La'O

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Confirmatory bias in health decisions [electronic resource] : evidence from the MMR-Autism controversy / Mengcen Qian, Shin-Yi Chou, Ernest K. Lai

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

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Does race matter for police use of force? [electronic resource] : Evidence from 911 calls / Mark Hoekstra, CarlyWill Sloan

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Advance market commitments [electronic resource] : insights from theory and experience / Michael Kremer, Jonathan D. Levin, Christopher M. Snyder

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Forward guidance and household expectations [electronic resource] / Olivier Coibion, Dimitris Georgarakos, Yuriy Gorodnichenko, Michael Weber

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Media competition and news diets [electronic resource] / Charles Angelucci, Julia Cagé, Michael Sinkinson

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.

Cambridge, United Kingdom ; New York, NY : Cambridge University Press, 2019.




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

London ; New York : Routledge, 2008




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Assessing the suitability of the Longitudinal and International Study of Adults for the estimation of intergenerational income mobility [electronic resource] / by Gaëlle Simard-Duplain and Xavier St-Denis

Ottawa : Statistics Canada = Statistique Canada, 2020




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Charity and mutual aid in Europe and North America since 1800 [electronic resource] / edited by Bernard Harris and Paul Bridgen

New York : Routledge, 2007




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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

Cambridge, Mass. : National Bureau of Economic Research, 2020




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What will be the economic impact of COVID-19 in the US? [electronic resource] : Rough estimates of disease scenarios / Andrew Atkeson

Cambridge, Mass. : National Bureau of Economic Research, 2020




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The macroeconomics of epidemics [electronic resource] / Martin S. Eichenbaum, Sergio Rebelo, Mathias Trabandt

Cambridge, Mass. : National Bureau of Economic Research, 2020




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The postcolonial politics of development [electronic resource] / Ilan Kapoor

London ; New York : Routledge, 2008




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The coronavirus epidemic curve is already flattening in New York City [electronic resource] / Jeffrey E. Harris

Cambridge, Mass. : National Bureau of Economic Research, 2020