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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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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




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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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Cervical afferents and primary headache : an investigation of the potential role of cervical nociceptors in sensitising the trigemino-cervical nucleus in primary headache / Dean H Watson

Watson, Dean H., author




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Social youth entrepreneurship [electronic resource] : the potential for youth and community transformation / by Melvin Delgado

Delgado, Melvin




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Potential method in mathematical theories of multi-porosity media / Merab Svanadze

Online Resource




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Media & society : production, content & participation / Nicholas Carah & Eric Louw

Carah, Nicholas, author




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Using rough set theory to improve content based image retrieval system / Maryam Shahabi Lotfabadi

Shahabi Lotfabadi, Maryam, author




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Content strategy for mobile / Karen McGrane

McGrane, Karen




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Mamata turns attention on KLO

Chief Minister Mamata Banerjee today turned her attention to a militant organisation in the adjoining plains.




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Urgent attention required on infra, taxes to boost exports: survey

India needs "urgent attention" on issues related to infrastructure, trade facilitation, taxes and credit in order to boost the country's exports, said the Economic Survey 2012-13.




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Seed of contention

As Nitish takes a tough stand against MNCs planning to sell Bt maize after selling hybrid corn seeds, farmers of Bihar''s Kosi region are a confused lot




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Theatre and aural attention : stretching ourselves / George Home-Cook

Home-Cook, George, 1975- author




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Commercializing nanomedicine: industrial applications, patents, and ethics / edited by Luca Escoffier, Mario Ganau, Julielynn Wong

Online Resource




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'I don't do things to grab attention'

'I always feel that if I have not done anything in the past year, people will probably forget me.'




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Biodefense in the age of synthetic biology / Committee on Strategies for Identifying and Addressing Potential Biodenfense Vulnerabilities Posed by Synthetic Biology, Board on Chemical Sciences and Technology, Board on Life Sciences, Division on Earth and

Online Resource




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An Event Apart: Content Performance Quotient

In his Beyond Engagement: the Content Performance Quotient presentation at An Event Apart in Chicago, Jeffrey Zeldman introduced a new metric for tracking how well Web sites are performing. Here's my notes from his talk:

  • The number one stakeholder request for Web sites is engagement: we need people using our services more. But is it the right metric for all these situations?
  • For some apps, engagement is clearly the right thing to measure. Think Instagram, long-form articles, or gaming sites. For others, more time spent might be a sign of customer frustration.
  • Most of the Web sites we work on are like customer service desks where we want to give people what they need and get them on their way. For these experiences, speed of usefulness should matter more than engagement.
  • Content Performance Quotient (Design CPQ) is a measure of how quickly we can get the right content to solve the customer's problem. The CPQ is a goal to iterate against and aim for the shortest distance between problem & solution. It tracks your value to the customer by measuring the speed of usefulness.
  • Pretty garbage: when a Web site looks good but doesn't help anyone. Garbage in a delightfully responsive grid is still garbage. A lot of a Web designer's job is bridging the gap between what clients say they need and what their customers actually need.
  • Marlboro's advertising company (in the 50s) rethought TV commercials by removing all the copy and focusing on conveying emotions. They went from commercials typically full of text to just ten words focused on their message.
  • Mobile is a great forcing function to re-evaluate our content. Because you can't fit everything on a small screen, you need to make decisions about what matters most.
  • Slash your architecture and shrink your content. Ask: "why do we need this?" Compare all your content to the goals you've established. Design should be intentional. Have purpose-driven design and purpose-driven content. If your design isn't going somewhere, it is going nowhere.
  • We can't always have meetings where everybody wins. We need to argue for the customer and that means not everyone in our meetings will get what they want. Purpose needs to drive our collaborations not individual agendas, which usually leak into our Web site designs.
  • It’s easy to give every stakeholder what they want. We've enabled this through Content Management Systems (CMS) that allow everyone to publish to the site. Don't take the easy way out. It’s harder to do the right thing. Harder for us, but better for the customer & bottom line.
  • Understanding the customer journey allows us to put the right content in the right place. Start with the most important interaction and build out from there. Focus on key interactions and build out from there. Sometimes the right place for your content isn't your Website -for video it could be YouTube or Vimeo.
  • Customers come to our sites with a purpose. Anything that gets in the way of that is a distraction. Constantly iterate on content to remove the cruft and surface what's needed. You can start with a content inventory to audit what is in your site, but most of this content is probably out of date and irrelevant. So being in a state of constant iteration works better.
  • When you want people to go deeper and engage, to slow down... scannability, which is good for transactions, can be bad for thoughtful content. Instead slow people down with bigger type, better typographic hierarchy, more whitespace.
  • Which sites should be slow? If the site is delivering content for the good of the general public, the presentation should enable slow, careful reading. If it’s designed to promote our business or help a customer get an answer to her question, it must be designed for speed of relevancy.




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Private Banks' Q4 nos may not reflect full extent of Covid-19 hit: Analysts

Among large banks, the brokerage sees ICICI Bank's PAT declining 49 per cent QoQ to Rs 2,100 crore in Q4FY20, followed by a 68 per cent sequential decline in Axis Bank's PAT at Rs 564.6 crore.




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[ASAP] Therapeutic Potential of Carnosine and Its Derivatives in the Treatment of Human Diseases

Chemical Research in Toxicology
DOI: 10.1021/acs.chemrestox.0c00010




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Inside Innovation - Born of Sound: Transforming Sound into Art [Sponsored Content]

Consider it sound you can see. Find out how Ashik and Jenelle Mohan of Born of Sound are using audio recordings to create works of art, bringing to life a child’s laugh or heartbeat in a fluid, vibrant print. Brought to you by Intel.




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Inside Innovation - Makey Makey: Making a Better World…One Carrot Keyboard at a Time [Sponsored Content]

Jay Silver and his co-founder's concept was simple: Hook up everyday objects to small circuits and turn them into touchpads. See how their MaKey MaKey invention kit is changing the way we interact with the world. Brought to you by Intel.




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Inside Innovation - Floored: Reimagining 3D Experiences for the Real World [Sponsored Content]

David Eisenberg, co-founder and CEO of Floored, explains how his company transforms real estate floor plans into 3D experiences using Intel's agile technology, allowing consumers to skip the walkthrough and take a virtual 3D tour instead. Brought to you by Intel.




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Inside Innovation - Brass Monkey: Reinventing Multiscreen Gaming Experiences [Sponsored Content]

Infrared5 co-founders Chris and Rebecca Allen are revolutionizing the multi-screen experience. With their popular computer game Brass Monkey they’re bringing people together with socially, multi-screen experiences that turn smart phones into game controllers and PC/Tablets into consoles. Brought to you by Intel.




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Inside Innovation - CuteCircuit: Trendspotting From Tech to Fashion [Sponsored Content]

CuteCircuit co-founder and creative director Francesca Rosella believes in technology you can wear. She explains how, with the help of co-founder Ryan Genz, CuteCircuit is able to create interactive fashion—like a dress that’s illuminated by LED lights or a skirt that displays a message—with technology that integrates seamlessly into garments. Brought to you by Intel




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Bonus Content: See How to Build Captain Kirk’s Chair from Star Trek Continues with Vic Mignogna

It’s more than just a prop. Vic Mignogna, who stars as Captain Kirk in “Star Trek Continues,” shows us the famous Captain’s chair and explains how the set designer re-created a replica of the original version, down to the hand-poured control buttons.




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Bonus Content: Could A "Dawn of the Planet of the Apes" Disaster Actually Happen?

Now you know what to do if a Planet of the Apes situation occurs, but is an ape takeover actually plausible? Host Quinn Beswick breaks down the likelihood of a primate invasion.




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The Ultimate Valentine’s Day Gift Guide for Women | Sponsored Content

Valentine’s Day is just around the corner. Blogger Christen Rochon breaks down her top three picks for the lucky lady in your life. Brought to you by eBay




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3 Valentine’s Day Gifts for the Tech Guy in Your Life | Sponsored Content

Still stumped on what to get your guy for Valentine’s Day? Check out three techie-approved gifts, perfect for any guy on your list. Brought to you by eBay




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[Branded Content] Working Together for a Common Goal; The Science of Teams: Atlassian

Produced for Atlassian by the WIRED Brand Lab. The process of team work is all around us. From construction, to music, to food, the greatest achievements are born out of teams. On its surface, collaboration is a seemingly simple process, but there is much more underneath. WIRED teams up with the experts and uses science to showcase the mechanics behind working as a team.




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The Single-Celled Stentor Could Hold the Secret to Human Regeneration

Meet the stentor, a gigantic single-celled organism that can regenerate and ink like a squid.




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Six Degrees of Automation: How an Empty Parking Lot Will Change the Banking Industry | Branded Content

Welcome to Six Degrees of Automation – a docu-series dedicated to analyzing the impact intelligent automation is having on various industries, produced in collaboration between IBM Services and Wired Brand Lab. In our inaugural episode, we explore how intelligent automation is transforming the banking industry. Follow Bill on his journey to receive a home loan, a seemingly simple process, but one that is being transformed by automation.




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Tech Today and Tomorrow Presented by DXC Technology - Why Cybersecurity is So Critical | Branded Content | Tech Today and Tomorrow | Ep. 4

Security teams used to be able to patrol on-site to ensure their company’s premises were kept safe – now it’s about building teams that can predict potential cyber threats and sabotage from individuals, companies or even hostile nations. In Part 4 of this series, WIRED Brand Lab aims to uncover what businesses can do to evolve their security techniques within a digitally enabled business world. Produced by WIRED Brand Lab for DXC Technology.




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Tech Today and Tomorrow Presented by DXC Technology - How Technology Has Changed The Workplace | Branded Content | Tech Today and Tomorrow | Episode 3

In the past, the idea of the workplace meant an office in a high-rise building where all employees came together to run a company. In Part 3 of this series, WIRED Brand Lab discovers how the modern workplace is no longer confined to a physical space. We’ll look at how rising technologies like the cloud, Artificial Intelligence and mobile devices are creating a new type of workplace, one that can be accessed anywhere. Produced by WIRED Brand Lab for DXC Technology.




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Tech Today and Tomorrow Presented by DXC Technology - How AI & Robotics Can Make Our Lives Better | Branded Content | Tech Today and Tomorrow | Episode 2

Robots, personal assistants, and other AI-powered devices are quickly becoming a staple in homes and offices around the country. In Part 2 of this series, WIRED Brand Lab will explore how AI and robotics are changing business models and augmenting our productivity as workers. Produced by WIRED Brand Lab for DXC Technology.




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Tech Today and Tomorrow Presented by DXC Technology - How The Internet of Things Will Change Everything | Branded Content | Tech Today and Tomorrow | Episode 1

Internet-connected devices are revolutionizing the way we live and do business. In Part 1 of this series, WIRED Brand Lab looks at The Internet of Things and explores how connected devices will impact and expand our capabilities, as both businesses and individuals, for decades to come. Produced by WIRED Brand Lab for DXC Technology.




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Physikalischen Prinzipien der Quantentheorie. English

Heisenberg, Werner, 1901- author




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Talent leadership [electronic resource] : a proven method for identifying and developing high-potential employees / John Mattone with Luiz Xavier ; foreword by Jac Fitz-enz

Mattone, John




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Mine ventilation: proceedings of the tenth US/North American Mine Ventilation Symposium, 16-19 May 2004, Anchorage, Alaska, USA / edited by R. Ganguli, S. Bandopadhyay

Online Resource




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3D-Nanosponge enabled segregation: a versatile approach for highly dispersed and high content functionalization of metal oxide species

Mater. Chem. Front., 2020, Advance Article
DOI: 10.1039/D0QM00115E, Research Article
Min Zhang, Yannan Yang, Yang Liu, Jianye Fu, Jingyi Lu, Yang Yang, Jinqing Jiao, Chengzhong Yu
A general 3D nanosponge enabled strategy is developed to achieve simultaneously highly dispersed and high content functionalization of metal oxide species, ebabling a liabrary of functional nanostructures with great application potential.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Intentional modification of the optical spectral response and relative sensitivity of luminescent thermometers based on Fe3+,Cr3+,Nd3+ co-doped garnet nanocrystals by crystal field strength optimization

Mater. Chem. Front., 2020, Advance Article
DOI: 10.1039/D0QM00097C, Research Article
K. Kniec, K. Ledwa, K. Maciejewska, L. Marciniak
The relative sensitivity and usable temperature range of Fe3+,Cr3+-based luminescent thermometers can be tuned by modification of the crystal field strength.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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The power of dissociation: development of displacement assays for chemosensing and latent catalytic systems

Mater. Chem. Front., 2020, 4,1328-1339
DOI: 10.1039/C9QM00639G, Review Article
Cheuk-Fai Chow, Anxun Zheng, Min Huang, Chang Shen
Disassembly is an essential process in supramolecular chemistry. In this review, different bimetallic donor–acceptor-based chemosensors, chemodosimeters, catalysts and latent catalysts founded on various displacement assays will be discussed.
The content of this RSS Feed (c) The Royal Society of Chemistry




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[ASAP] Low Salinity Polymer Flooding: Effect on Polymer Rheology, Injectivity, Retention, and Oil Recovery Efficiency

Energy & Fuels
DOI: 10.1021/acs.energyfuels.0c00393




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[ASAP] Introducing Virtual Oligomerization Inhibition to Identify Potent Inhibitors of Aß Oligomerization

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00185




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The high-accuracy prediction of carbon content in semi-coke by laser-induced breakdown spectroscopy

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/C9JA00443B, Paper
Xiangjun Xu, Angze Li, Xianshuang Wang, Chunjie Ding, Suling Qiu, Yage He, Tianqi Lu, Feng He, Bingsuo Zou, Ruibin Liu
LIBS technology is used in the realization process of semi-coke detection.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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How to Add More Context to Your Social Media Content

With social media engagement hovering below 0.1%, networks showing more ads than ever, and organic social visibility in a continuous decline, social media does not seem like the lucrative marketing channel it once was.

However, user bases are growing, customers are using social to interact with brands, and most importantly, social is having an impact on purchasing decisions.

complete article




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9 Types of Content to Stop Posting on Social Media

Here is the thing: when you post bad content to your social media channels, you run the risk of overshadowing all the hard work you have put into building your presence, and establishing connection with your online audience.

And because we do not want to let you do that, in this post, we're going to outline nine content types which could be wrecking your social media - and losing you followers.

complete article




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Content trends for social media in 2020

What kinds of content are most likely to make an impact on social media platforms in 2020? This handy guide offers tips for making a splash online.

With changing algorithms and shortening attention spans, it is crucial to invest wisely on social media content.

You have very little time to set yourself apart on social media platforms, so savvy communicators will take advantage of every opportunity. If video is performing well, double down on those snackable videos. If your audience loves to share graphics, make sure you create exciting visuals that pack a punch.

complete article




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A 3-Step Approach to Intentional Social Media Marketing

If you are not seeing results from your social media efforts, have you asked yourself why you are doing all of that—other than because everyone else is doing it?

complete article




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A strategy to unlock the potential of CrN as a highly active oxygen reduction reaction catalyst

J. Mater. Chem. A, 2020, 8,8575-8585
DOI: 10.1039/C9TA14085A, Paper
Junming Luo, Xiaochang Qiao, Jutao Jin, Xinlong Tian, Hongbo Fan, Demei Yu, Wenlong Wang, Shijun Liao, Neng Yu, Yijie Deng
The potential of CrN as highly active ORR catalyst can be unlocked by enhancing its conductivity, enriching its d electrons and enlarging the exposure of active sites.
The content of this RSS Feed (c) The Royal Society of Chemistry




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The critical effect of water content in the electrolyte on the reversible electrochemical performance of Zn–VPO4F cells

J. Mater. Chem. A, 2020, 8,8262-8267
DOI: 10.1039/D0TA01622E, Communication
Hooman Yaghoobnejad Asl, Shyam Sharma, Arumugam Manthiram
The critical role of water as a source of H+ working ions and reactive species in the Zn–VPO4F electrochemical system with an ionic liquid electrolyte.
The content of this RSS Feed (c) The Royal Society of Chemistry