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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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en

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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en

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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en

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...
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en

Conductive zigzag Pd(III)–Br chain complex realized by multiple-hydrogen-bond approach

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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en

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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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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en

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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en

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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N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.

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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en

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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en

Halogen bonded metal bis(dithiolene) 2D frameworks

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00512F, Paper
Hadi Hachem, olivier Jeannin, Marc Fourmigue, Frederic Barriere, Dominique Lorcy
Halogenated metal dithiolene complexes have been designed together with halogen bond acceptor sites in order to favor halogen bonding interactions between these electroactive architectures. For the synthesis, we explored the...
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en

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...
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en

Global economic outlook worsened since forecast in April, says IMF

The International Monetary Fund said that the global economic outlook has worsened since its latest forecast three weeks ago and the world can expect




en

Aarogya Setu app: HC seeks Centre’s response

Mandatory provision challenged in court




en

Govt. tightens border controls

To pre-empt a possible third wave of COVID-19 infection




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38 expatriates sent to quarantine in Thrissur

When the KSRTC buses with 38 Pravasis from the Nedumbassery airport reached Mammiyur near Guruvayur by 3.30 a.m., Minister for Local Self-Governments




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Youth in quarantine dies of renal failure

He attended a wedding reception three weeks ago




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KHS online challenges for teenagers

To engage them in productive, safe activities




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Stringent steps to curb rush at Muthanga check-post

Several returnees found reaching facility without completing registration process




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India vs England, 3rd ODI

Images from the second One-Day International between India and England in Rajkot.




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India vs England, 3rd ODI

Images from the second One-Day International between India and England in Rajkot.




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Current and forthcoming cricket schedule | rediff.com

Current and forthcoming cricket schedule | rediff.com




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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




en

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

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




en

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




en

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




en

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




en

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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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.




en

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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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




en

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




en

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




en

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

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




en

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

London ; New York : Routledge, 2008




en

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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Longer-run economic consequences of pandemics [electronic resource] / Òscar Jordà, Sanjay R. Singh , Alan M. Taylor

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




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Estimating macroeconomic models of financial crises [electronic resource] : an endogenous regime-switching approach / Gianluca Benigno, Andrew Foerster, Christopher Otrok, Alessandro Rebucci

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 many jobs can be done at home? [electronic resource] / Jonathan I. Dingel, Brent Neiman

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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Aggregate and firm-level stock returns during pandemics [electronic resource] : in real time / Laura Alfaro, Anusha Chari, Andrew N. Greenland, Peter K. Schott

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

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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U.S. economic activity during the early weeks of the SARS-Cov-2 outbreak [electronic resource] / Daniel Lewis, Karel Mertens, James H. Stock

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