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




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




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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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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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Ligand modulated the variable binuclear Cd2-SBU and structures of four layered coordination frameworks

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00513D, Paper
Mengdie Wang, Jian Zhang, Yun-Kai Sun, Jing Wei, Chunhong Tan, Xiao-Feng Wang
Four layered coordination polymers, namely, [Cd2(fuma)2(phen)2] (1), [Cd2(BDC)2(phen)2]·2DMF (2), [Cd2(NDC)2(phen)2]·0.5H2O (3), [Cd2(NDC)2(bipy)2]·2DMF (4) have been synthesized under solvo-thermal conditions (fuma = fumaric acid, H2BDC = 1,4-benzenedicarboxylic acid, H2NDC =1,4-naphthalenedicarboxylic acid,...
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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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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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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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One from Ernakulam tests positive

Patient from Chennai suffers from kidney ailment also




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10 Gulf returnees put in KTDC facility

Arrived at Cochin on Thursday




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Current and forthcoming cricket schedule | rediff.com

Current and forthcoming cricket schedule | rediff.com




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

Abingdon, Oxon ; New York, NY : Routledge, 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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The rise of for-profit experimental medicine [electronic resource] / Pierre Azoulay, Ariel Fishman

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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Expanding frontiers of global trade rules [electronic resource] : the political economy dynamics of the international trading system / Nitya Nanda

London ; New York : Routledge, 2008







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Shahid Kapoor's BEAUTIFUL life in pictures!

Happy birthday, Shahid Kapoor.




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PIX: Rakul watches Thappad with Taapsee

Director Anubhav Sinha hosted a special screening of Thhapad, starring Taapsee Pannu and Pavail Gulati, in Mumbai, and quite a few film folk queued up to watch it.




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Pulkit-Kriti's cute PDA on social media

Pulkit Samrat and Kriti Kharbanda make the cutest couple, don't they?









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'Even in his bullying there was so much love'

Rishi Kapoor passed into the ages on April 30.




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Sleep : multi-professional perspectives / edited by Andrew Green and Alex Westcombe with Ved Varma ; foreword by David Nutt




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Treating complex traumatic stress disorders in children and adolescents : scientific foundations and therapeutic models / edited by Julian D. Ford, Christine A. Courtois




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Current concepts in vertebrobasilar complications following spinal manipulation / by Allan G.J. Terrett

Terrett, Allan G. J




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Neuropathic pain : causes, management, and understanding / edited by Cory Toth, Dwight E. Moulin




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Medical imaging based on magnetic fields and ultrasounds / edited by Hervé Fanet




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The nociceptive blink reflex in migraine : an investigation of endogenous and exogenous modulators on the trigeminal nervous system in migraine sufferers / Shirlee Treleaven-Hassard

Treleaven-Hassard, Shiree, author




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Point of care ultrasound / Nilam J. Soni, Robert Arntfield, Pierre Kory

Soni, Nilam J., author




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Molecular diagnostics : current research and applications / edited by Jim F. Huggett and Justin O'Grady




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Anxiety and related disorders interview schedule for DSM-5 (ADIS-5) : client interview schedule / Timothy A. Brown, David H. Barlow

Brown, Timothy A., 1960-




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Common pitfalls in the evaluation and management of headache : case-based learning / Elizabeth W. Loder, The John R. Graham Headache Center, Brigham and Women's Faulkner Hospital and Department of Neuology, Harvard Medical School, Boston, MA, USA, Reb

Loder, Elizabeth, author




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Healing the traumatized self : consciousness, neuroscience, treatment / Paul Frewen, Ruth Lanius

Frewen, Paul, author




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Dysregulated biological pathways in major depression : an examination of the antidepressant effects of curcumin / by Adrian L. Lopresti

Lopresti, Adrian L., author




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Practical guide to emergency ultrasound / [edited by] Karen S. Cosby, John L. Kendall




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Clinical diagnostic tests : how to avoid errors in ordering tests and interpreting results / edited by Michael Laposata