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Crystal nucleation of salicylamide and a comparison with salicylic acid

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00168F, Paper
Shubhangi Kakkar, K. Renuka Devi, Michael Svärd, Åke Rasmuson
Nucleation behaviour of salicylamide in different solvents was determined and compared with salicylic acid, attempting to progress the rationalization of the influence of the solvent and solute on crystal nucleation of organic compounds in solution.
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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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Self-assembled natLiCl–CeCl3 directionally solidified eutectics for thermal neutron detection

CrystEngComm, 2020, Advance Article
DOI: 10.1039/C9CE01884K, Communication
Shuangliang Cheng, Rachel E. Hunneke, Mengkun Tian, Eric Lukosi, Mariya Zhuravleva, Charles L. Melcher, Yuntao Wu
We developed novel LiCl–CeCl3 eutectic scintillators that are capable of detecting thermal neutrons.
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Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00084A, Paper
Yang Wang, Mengjia Luo, pei Zhao, Xiangli Che, Yunzhen Cao, Fu Qiang Huang
A new mid-infrared nonlinear optical oxyselenide, Sr4Pb1.5Sb5O5Se8, was successfully synthesized by traditional solid-state reaction. It crystallizes in the noncentrosymmetric space group Cm (No. 8) of the monoclinic system. The crystal...
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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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Syntheses of Nymphaea-like BiOCl with oxygen vacancies for effectively remove tetracycline hydrochloride

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00417K, Paper
Weidong Hou, Jia Yang, Haiming Xu, Dongya Li, Zhongwei Zou, Dongsheng Xia
Nymphaea-like BiOCl with oxygen vacancies (OVs) was successfully prepared by adjusting the pH of the precursor and using aspartic acid as surfactant. The as-fabricated samples were investigated by XRD, SEM,...
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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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Cocrystals/salt of 1-naphthaleneacetic acid and utilizing Hirshfeld surface calculations for acid–aminopyrimidine synthons

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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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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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.
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The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d–4f heterometallic compounds

CrystEngComm, 2020, 22,2998-3004
DOI: 10.1039/D0CE00039F, Paper
Ruirui Wang, Haili Wang, Juan Wang, Feifei Bai, Yue Ma, Licun Li, Qinglun Wang, Bin Zhao, Peng Cheng
For the isomorphic tetranuclear 3d–4f compounds constructed by [M(CN)6]3− linking LnIII-Schiff-base units, the diamagnetic CoIII ions in the system could suppress QTM effectively and obtain a field-induced SMMs behavior.
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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

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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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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Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine – 3- methylsalicylic acid co-crystal

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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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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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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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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Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization

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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Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks

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

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

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

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

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




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The unprecedented stock market impact of COVID-19 [electronic resource] / Scott R. Baker, Nicholas Bloom, Steven J. Davis, Kyle J. Kost, Marco C. Sammon, Tasaneeya Viratyosin

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




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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




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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

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

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




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What's wrong with economics [electronic resource] : a primer for the perplexed / Robert Skidelsky.

New Haven : Yale University Press, [2020]




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Scenario analysis [electronic resource]: COVID-19 pandemic and oil price shocks

[Ottawa] : Office of the Parliamentary Budget Officer = Bureau du directeur parlementaire du budget, March 27, 2020




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Scenario analysis update [electronic resource]: COVID-19 pandemic and oil price shocks

[Ottawa] : Office of the Parliamentary Budget Officer = Bureau du directeur parlementaire du budget, April 9, 2020




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Bank stress testing [electronic resource] : public interest or regulatory capture? / Thomas Ian Schneider, Philip E. Strahan, Jun Yang

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




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A new Engel on price index and welfare estimation [electronic resource] / David Atkin, Benjamin Faber, Thibault Fally, Marco Gonzalez-Navarro

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




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Paying outsourced labor [electronic resource] : direct evidence from linked temp agency-worker-client data / Andres Drenik, Simon Jäger, Pascuel Plotkin, Benjamin Schoefer

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




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An SEIR infectious disease model with testing and conditional quarantine [electronic resource] / David W. Berger, Kyle F. Herkenhoff, Simon Mongey

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




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How deadly is COVID-19? [electronic resource] : Understanding the difficulties with estimation of its fatality rate / Andrew Atkeson

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




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Firm-level exposure to epidemic diseases [electronic resource] : Covid-19, SARS, and H1N1 / Tarek Hassan, Stephan Hollander, Laurence van Lent, Ahmed Tahoun

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




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A simple planning problem for COVID-19 lockdown [electronic resource] / Fernando Alvarez, David Argente, Francesco Lippi

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




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COVID-induced economic uncertainty [electronic resource] / Scott R. Baker, Nicholas Bloom, Steven J. Davis, Stephen J. Terry

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




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The social and economic concerns of immigrants during the COVID-19 pandemic [electronic resource] / by Sébastien LaRochelle-Côté and Sharanjit Uppal

[Ottawa] : Statistics Canada = Statistique Canada, 2020




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Risk sharing externalities [electronic resource] / Luigi Bocola, Guido Lorenzoni

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