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Sulfidation attenuates the adverse impacts of metallic nanoparticles on anammox from the perspective of chronic exposure

Environ. Sci.: Nano, 2020, Advance Article
DOI: 10.1039/D0EN00219D, Paper
Zheng-Zhe Zhang, Yu Zhang, Ya-Fei Cheng, Ren-Cun Jin
The risks of metallic nanoparticles (MNPs) in anammox have attracted increasing attention; however, how sulfidation, an important environmental transformation process, affects their toxicity potential is unclear.
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Dominant effect of the grain size of the MAPbI3 perovskite controlled by the surface roughness of TiO2 on the performance of perovskite solar cells

CrystEngComm, 2020, 22,2718-2727
DOI: 10.1039/D0CE00169D, Paper
Methawee Nukunudompanich, Gekko Budiutama, Kazuma Suzuki, Kei Hasegawa, Manabu Ihara
The surface roughness of the c-TiO2 layer help controls the perovskite grain size without any other parameter. The direct effect of perovskite grain size on PSC performance is clarified.
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Lilac flower-shaped ZnCo2O4 electrocatalyst for efficient methanol oxidation and oxygen reduction reactions in an alkaline medium

CrystEngComm, 2020, 22,2849-2858
DOI: 10.1039/D0CE00024H, Paper
T. V. M. Sreekanth, P. C. Nagajyothi, K. C. Devarayapalli, J. Shim, K. Yoo
A ZnCo2O4 electrocatalyst for the efficient MOR and ORR.
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Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate

CrystEngComm, 2020, 22,2866-2872
DOI: 10.1039/D0CE00096E, Paper
Andrei V. Churakov, Dmitry A. Grishanov, Alexander G. Medvedev, Alexey A. Mikhaylov, Mikhail V. Vener, Mger A. Navasardyan, Tatiana A. Tripol'skaya, Ovadia Lev, Petr V. Prikhodchenko
2-Aminobenzimidazole peroxosolvate – the third H2O2 crystalline adduct stabilized with the maximum possible number of hydrogen bonds formed by one hydrogen peroxide molecule.
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Susceptible CoSnO3 nanoboxes with p-type response for triethylamine detection at low temperature

CrystEngComm, 2020, 22,2795-2805
DOI: 10.1039/D0CE00170H, Paper
Lingli Zheng, Yingqiang Zhao, Yongshan Xu, Chen Yang, Jun Zhang, Xianghong Liu
CoSnO3 nanoboxes exhibit a p-type response to detect triethylamine at 100 °C with a limit of detection of 134 ppb.
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Heterobimetallic complexes from 0D clusters to 3D networks based on various polycyanometallates and [Cu(dmpn)2]2+ (dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties

CrystEngComm, 2020, 22,2806-2816
DOI: 10.1039/D0CE00235F, Paper
Xiaoyun Hao, Jingwen Shi, Yong Dou, Tong Cao, Zhen Zhou, Lu Yang, Dacheng Li, Qingyun Liu, Jianzhuang Jiang, Daopeng Zhang
Six new cyanide-bridged complexes (0–3D) have been assembled by employing one copper compound and six cyano precursors. Investigation of the magnetic properties revealed the ferro- or antiferromagnetic coupling between FeIII/CrI ion and CuII ion.
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Static disorder in a perovskite mixed-valence metal–organic framework

CrystEngComm, 2020, 22,2859-2865
DOI: 10.1039/D0CE00119H, Paper
Ines E. Collings, Paul J. Saines, Mirko Mikolasek, Tiziana Boffa Ballaran, Michael Hanfland
Effects of A-site and M-site substitutions on the structural properties of perovskite dimethylammonium iron formate.
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Machine learning methods to predict the crystallization propensity of small organic molecules

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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Investigation on the interconversion from DMF-solvated to unsolvated copper(II) pyrazolate coordination polymers

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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Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00416B, Communication
Takumi Kusakawa, Takayuki Goto, Akiko Hori
Expanded π-conjugated coordination complexes, [M(L2)2] (M = Cu2+, Pd2+, Pt2+; L2 = dinaphthoylmethanido), were prepared and their unique electron contributions and electrophile/nucleophile characteristics were found due to the supramolecular associations.
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Mesoporogen-free synthesis of hierarchical HZSM-5 for LDPE catalytic cracking

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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Role of Surface Phenomena on the Reaction of Molecular Solids: the Diels-Alder Reaction on Pentacene

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00269K, Paper
Selma Piranej, Michael A. W. Shelhart Sayers, Gregory J. Deye, Sergey N. Maximoff, Jonathan P. Hopwood, Haejun Park, Jean G. Slavsky, Jacob Ciszek
Reactivity trends for molecular solids cannot be explained exclusively through topochemical phenomenon (i.e. diffusivity, reaction cavities) or electronic structure of the molecules. As an example of this class, Diels-Alder reactions...
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One-dimensional chains based on linear tetranuclear copper(I) units: reversible structural transformation and luminescence change

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00294A, Paper
Chih-Tung Yang, Xiang-Kai Yang, Ji-Hong Hu, Wei-Te Lee, Tsun-Ren Chen, Chih-Chieh Wang, Jhy-Der Chen
Two extended metal chains based on linear tetracopper units are reported, in which the bromide complex undergoes reversible structural transformation and luminescence change.
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Synthesis of the finger-like MoS2@VS2 micro-nano composite with enhanced field emission performance

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00347F, Paper
Yu Feng, Erwei Du, Shijing Gong, Ke Yu, Xiaofan Chen, Ziqiang Zhu
The MoS2@VS2 micro-nano composite was synthesized via a two-step hydrothermal method. The field emission properties of MoS2@VS2 micro-nano composite were investigated for the first time. The finger-like VS2 has a...
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Correction: Two-dimensional porous nickel oxalate thin sheets constructed by ultrathin nanosheets as electrode materials for high-performance aqueous supercapacitors

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE90057E, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Chenglan Zhao, Yuqian Jiang, Shunfei Liang, Fang Gao, Li Xie, Lingyun Chen
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A novel synthesis of YVO4:Ln3+ (Ln = Eu, Sm, and Dy) porous/hollow submicro-ellipsoids and their luminescence properties

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00526F, Paper
Shuang Zhao, Baiqi Shao, Yang Feng, Senwen Yuan, Langping Dong, Liang Zhang, Hongpeng You
A novel synthesis strategy of porous/hollow YVO4 submicro-ellipsoids with multicolor emissions has been developed based on the high structural matching of LYH and YVO4.
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Graphene-based SiC nanowires with nanosheets: synthesis, growth mechanism and photoluminescence properties

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00297F, Paper
Zhihui Hu, Zhi Chen, Juntong Huang, Mingge Yan, Meng Zhang, Lei Zhang, Xibao Li, Zhijun Feng
3C-SiC nanowires with nanosheets were synthesized via a direct reaction of Si vapor (from solid silicon) and SiO vapor (from silicon and silicon dioxide) with graphene nanosheets at 1500 °C without any additional metal catalyst.
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A digital workflow from crystallographic structure to single crystal particle attributes for predicting the formulation properties of terbutaline sulfate

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00026D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Thai T. H. Nguyen, Robert B. Hammond, Ioanna D. Styliari, Darragh Murnane, Kevin J. Roberts
A detailed inter-molecular (synthonic) analysis of terbutaline sulfate, an ionic addition salt for inhalation drug formulation, is related to its crystal morphology, the surface chemistry of the habit faces and hence to its crystal surface energy.
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Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism

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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The effect of deuteration-levels in solution and temperature on the segregation coefficient of deuterium content in rapid-grown K(DxH1-x)2PO4 crystals using Raman spectroscopy

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00386G, Paper
Jinxin Huang, Zongqi Wang, Bing Teng, Hong Liu, Xixi Zheng, Shaohua Ji
A series of K(DxH1-x)2PO4 (DKDP) crystals with different saturating temperature and deuteration levels were grown by point-seed rapid growth method. The correlation between deuterium segregation coefficient and temperature and deuterium...
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First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring of Lamellar Aluminophosphate Precursor

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00644K, Communication
Kazuyuki Maeda, Kentaro Wakui, Kyosuke Arakawa, Atsushi Kondo
Topotactic pillaring of lamellar aluminophosphate (ALPO) layers with zinc cations is used to prepare microporous zincoaluminophosphate (ZnAPO) with AFY-type framework for the first time. This approach should be promising for...
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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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Effect of particle size and morphology on the performance of BiFeO3–PDMS piezoelectric generators

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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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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Hydrothermal synthesis and tunable up-conversion white luminescence properties of KSc(MoO4)2:Ln3+ (Ln = Yb, Er, Tm and Ho) crystals

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00253D, Paper
Yini Mao, Li Jiang, Pengfei Xian, Qiongfen Fu, Shanshan Hu, Jun Yang
Pure hexagonal phase KSc(MoO4)2 crystals with a hexagonal block shape were successfully synthesized via a one-step hydrothermal method.
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An X-shaped cyano–carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones

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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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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3C–, 4H–, and 6H–SiC crystal habitus and interfacial behaviours in high temperature Si-based solvents

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00521E, Paper
Taka Narumi, Didier Chaussende, Takashi Yoshikawa
Solution growth of SiC is a promising process for producing high-quality SiC crystals; however, control over the morphology of the growth interface under rapid growth conditions is a critical issue....
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Modified Floating-Zone Crystal Growth of Mg4Ta2O9 and Its Scintillation Performance

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

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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Microstructure characteristics of non-monodisperse quantum dots: On the potential of transmission electron microscopy combined with X-ray diffraction

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00312C, Paper
Stefan Neumann, Cristina Menter, Ahmed Salaheldin Mahmoud, Doris Segets, David Rafaja
Although the concept of quantum confinement was introduced more than thirty years ago, a wide application of the quantum dots is still limited by the fact that monodisperse quantum dots...
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Peculiarities of Br⋯Br bonding in crystal structures of polybromides and bromine solvates

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00288G, Paper
Anna V. Vologzhanina, Petr A. Buikin, Alexander A. Korlyukov
Analysis of supramolecular associates formed by Br⋯Br interactions in crystals of 204 polybromide and bromine-containing compounds has been carried out.
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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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Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts

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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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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Facile One–pot Solvothermal Synthesis of CdTe Nanorods and Their Photoelectrical Properties

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00459F, Communication
Binnian Zhong, Weifeng Kang, Zhiwei Zhang, Linhui Zhang, Bin Ma
Uniform CdTe NRs were synthesized by a one-pot PVP-assisted solvothermal process under mild conditions. By adjusting the amounts of the surfactant, reducing agent and the reaction temperature, CdTe NRs with...
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Health experts sceptical about ‘dilution’ of quarantine period

They attribute Kerala’s success till date to 28-day quarantine




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Special flight brings 152 people from Riyadh to Karipur

Eight from Karnataka, two from Tamil Nadu, rest from Kerala; 84 pregnant women among passengers




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Grooms-to-be, get in shape!

Fitness expert Brinda Sapat provides to-be grooms this wedding season with an exercise regime that is sure to have them look stunning on D-Day!




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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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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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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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How does household spending respond to an epidemic? [electronic resource] : Consumption during the 2020 COVID-19 pandemic / Scott R. Baker, R. A. Farrokhnia, Steffen Meyer, Michaela Pagel, Constantine Yannelis

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