el [ASAP] Insight into the Origin of Chiral-Induced Spin Selectivity from a Symmetry Analysis of Electronic Transmission By feedproxy.google.com Published On :: Wed, 22 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01078 Full Article
el [ASAP] <sup>13</sup>C NMR Relaxation Analysis of Protein GB3 for the Assessment of Side Chain Dynamics Predictions by Current AMBER and CHARMM Force Fields By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00050 Full Article
el [ASAP] Bottom-Up Nonempirical Approach To Reducing Search Space in Enzyme Design Guided by Catalytic Fields By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00139 Full Article
el [ASAP] Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00229 Full Article
el [ASAP] Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00126 Full Article
el [ASAP] Kernel-Based Machine Learning for Efficient Simulations of Molecular Liquids By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01256 Full Article
el [ASAP] Exploiting a Mechanical Perturbation of a Titin Domain to Identify How Force Field Parameterization Affects Protein Refolding Pathways By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00080 Full Article
el [ASAP] Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00057 Full Article
el [ASAP] Scalable Electron Correlation Methods. 7. Local Open-Shell Coupled-Cluster Methods Using Pair Natural Orbitals: PNO-RCCSD and PNO-UCCSD By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00192 Full Article
el [ASAP] Tight-Binding Modeling of Uranium in an Aqueous Environment By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00089 Full Article
el [ASAP] Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo By feedproxy.google.com Published On :: Wed, 29 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00070 Full Article
el [ASAP] Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA(CCSD) Methods By feedproxy.google.com Published On :: Thu, 30 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01300 Full Article
el [ASAP] Reduced-Order Modeling Approach for Electron Transport in Molecular Junctions By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01090 Full Article
el [ASAP] Direct Unconstrained Variable-Metric Localization of One-Electron Orbitals By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01286 Full Article
el [ASAP] Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01145 Full Article
el [ASAP] Markov State Model Analysis of Haloperidol Binding to the D<sub>3</sub> Dopamine Receptor By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00013 Full Article
el [ASAP] Binding Dynamics of siRNA with Selected Lipopeptides: A Computer-Aided Study of the Effect of Lipopeptides’ Functional Groups and Stereoisomerism By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01261 Full Article
el [ASAP] Generalized Moment Correction for Long-Ranged Electrostatics By feedproxy.google.com Published On :: Thu, 07 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01003 Full Article
el [ASAP] A Two-Ended Data-Driven Accelerated Sampling Method for Exploring the Transition Pathways between Two Known States of Protein By feedproxy.google.com Published On :: Fri, 08 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01184 Full Article
el [ASAP] Electronic Structure of Multicomponent Organic Molecular Materials: Evaluation of Range-Separated Hybrid Functionals By feedproxy.google.com Published On :: Fri, 08 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00138 Full Article
el [ASAP] Spin–Orbit Matrix Elements for a Combined Spin-Flip and IP/EA approach By feedproxy.google.com Published On :: Fri, 08 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00103 Full Article
el 'Delhi-Mum road project offers investment chances' By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 10:46:23 GMT The upcoming Rs 1 lakh cr Delhi-Mumbai Expressway project offers huge investment opportunities for investors, Union minister Nitin Gadkari said, urging players to invest in proposed townships & wayside amenities. The minister also exhorted industry players to look into the possibilities of setting up clusters of leather, plastic and other products along the highway. Full Article
el Narco-terrorist held; funded terror in J&K By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 11:19:57 GMT The NIA said that the agency along with Punjab and Haryana police arrested Ranjit Singh, allegedly a notorious narco-terrorist, on Saturday as he was acting as a conduit for Pakistan-based groups to push drugs into India and the money generated was used for terror activities. Singh, who has been on the run for nearly a year, was arrested from Sirsa, the NIA said. Full Article
el Coronavirus: TN relaxes lockdown measures further By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 11:15:55 GMT The Tamil Nadu government on Saturday relaxed certain lockdown measures in non-containment areas across the state, including permission to do takeaway services at teashops. This will come into effect on May 11. All private establishments can function with 33% strength between 10.30am and 6pm in Greater Chennai Police limits and 10am and 7pm in the rest of the state. Full Article
el How much aqueous sample can an inductively coupled plasma withstand? By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Accepted ManuscriptDOI: 10.1039/D0JA00070A, Technical NoteAhmed Al Hejami, John A. Burgener, Mirah Burgener, Diane BeaucheminDuring this study, a compact infrared-heated sample introduction system at 200°C, consisting of a modified cyclonic spray chamber with a ceramic rod heater within a baffle in its centre and...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
el Diagnostics of laser induced plasmas at late delay times By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Advance ArticleDOI: 10.1039/C9JA00439D, PaperL. J. Martino, C. A. D'AngeloImplementation of the plasma diagnostic method to estimate the evolution of temperature and electronic density at advanced postbreakdown times.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 Full Article
el ‘Blind time’ – current limitations on laser ablation multi-collector inductively coupled plasma mass spectrometry (LA-MC-ICP-MS) for ultra-transient signal isotope ratio analysis and application to individual sub-micron sized uranium particles By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Advance ArticleDOI: 10.1039/D0JA00066C, PaperGrant Craig, Matthew S. A. Horstwood, Helen J. Reid, Barry L. SharpGaps in acquisition between integration times for MC-ICP-MS can introduce isotope ratio bias with a mixed detector array.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 Full Article
el Inductively coupled plasma mass spectrometry coupled to cation exchange chromatography for the determination of trace nickel in alkaline electrolyte By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Advance ArticleDOI: 10.1039/D0JA00071J, Technical NoteLukas Miner, Diane BeaucheminCone corrosion by alkaline solutions with flow injection is prevented using cation-exchange chromatography coupled to inductively coupled plasma mass spectrometry.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 Full Article
el Development of a method for the direct determination of fluorine in solid samples using electrothermal vaporization coupled to inductively coupled plasma optical emission spectrometry By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Advance ArticleDOI: 10.1039/D0JA00079E, Technical NotePatricia Maung, Diane BeaucheminETV-ICPOES in atomic emission mode allows the direct determination of as low as 30 μg kg−1 fluorine in solid samples.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 Full Article
el Laser-induced breakdown spectroscopy (LIBS) spectra interpretation and characterization using parallel factor analysis (PARAFAC): a new procedure for data and spectral interference processing fostering the waste electrical and electronic equipment (WEEE) By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Advance ArticleDOI: 10.1039/D0JA00026D, PaperJeyne Pricylla Castro, Edenir Rodrigues Pereira-Filho, Rasmus BroFor the first time, PARAFAC was used to interpret and characterize LIBS spectra, providing the pure spectra, the signal profile and relative concentration of base and noble elements present on a printed circuit board from the hard disk.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 Full Article
el The matrix effect in TOF-SIMS analysis of two-element inorganic thin films By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Advance ArticleDOI: 10.1039/C9JA00428A, PaperAgnieszka Priebe, Tianle Xie, Gerhard Bürki, Laszlo Pethö, Johann MichlerInvestigation of the matrix effect in Zr-based two-element alloys under continuous bombardment of a Ga+ primary ion beam in a study of ionization probability towards exploring the potential and limitations of gas-assisted TOF-SIMS.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 Full Article
el A total consumption (up to 75 μL min−1) infrared-heated sample introduction system for inductively coupled plasma optical emission spectrometry By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Advance ArticleDOI: 10.1039/D0JA00068J, PaperAhmed Al Hejami, Mirah J. Burgener, John Burgener, Diane BeaucheminA compact infrared-heated sample introduction system provides similar analytical performance with higher robustness and faster washout than commercially available nebulization systems.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 Full Article
el Atomic spectrometry update: review of advances in atomic spectrometry and related techniques By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Advance ArticleDOI: 10.1039/D0JA90015J, Atomic Spectrometry UpdateE. Hywel Evans, Jorge Pisonero, Clare M. M. Smith, Rex N. TaylorThis review covers advances in atomic spectrometric techniques, including atomic emission, absorption, fluorescence and mass spectrometry. Material on speciation and coupled techniques is not covered as this is included in a separate ASU review.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 Full Article
el Feasibility study on application of Laser Induced Breakdown Spectroscopy for detection & identification of failed fuel pin and sodium-water reaction in Fast Reactors By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Accepted ManuscriptDOI: 10.1039/D0JA00077A, PaperNamitha J., Ujjwal Kumar Maity, Thangaraj Selvalakshmi, Manoravi Periasamy, Ashok Kumar G. V. S., Joseph M, Nagarajan SivaramanIn a fast reactor, during the analysis of core cover gas, the presence of gaseous fission products, namely, Kr and Xe or presence of He (in case of He bonded...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
el Extractive separation of rare earth elements and their determination by inductively coupled plasma optical emission spectrometry in geological samples By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Accepted ManuscriptDOI: 10.1039/D0JA00190B, PaperSusanta Kumar Pradhan, Balram AmbadeA simple, rapid and effective solvent extraction separation of rare earth elements (REEs) has been developed for their determination in geological samples such as rock, soil and core samples by...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
el Top 10 Bible Studies on Revelation for Fall 2019 By feeds.christianitytoday.com Published On :: Mon, 19 Aug 2019 08:00:00 PDT This fall’s top ten list cover a variety of bible studies on Revelation. Each curriculum gives you resources to lead a group study, but is also perfect as your own personal study. Full Article
el In India Social media platforms to follow code of ethics in all future elections By www.rss-specifications.com Published On :: Wed, 2 Oct 2019 18:00:23 -0400 In India Social media platforms like Facebook, Twitter and WhatsApp have agreed to follow the "voluntary code of ethics" in all future elections, including the upcoming Maharashtra and Haryana assembly polls, the Election Commission said on Thursday. The code, which was derived to act against paid advertisements that violate norms set by the Election Commission, came into force on March 20 in the last Lok Sabha polls. complete article Full Article
el Artificial Intelligence Influencing Social Media By www.rss-specifications.com Published On :: Fri, 4 Oct 2019 18:01:42 -0400 Artificial intelligence could be destabilizing the internet news ecosystem. And according to billionaire Elon Musk, social media is the first to fall prey. complete article Full Article
el How to Develop a Social Media Marketing Strategy for Your Business By www.rss-specifications.com Published On :: Fri, 25 Oct 2019 09:16:15 -0400 A sound, effective strategy involves these four steps. A whopping 3.2 billion people, or 42% of the world's population, uses social media. On average, people spend over two hours of their day messaging and surfing social media networks. After having a positive experience with a brand on social media, 71% of people will often recommend the brand to their friends and family. On top of that, 49% of people are taking their cues on what to buy from social media influencers. Based on these statistics, it's crucial for businesses to have a solid social media marketing strategy in place. Unfortunately, many business owners have no idea how to handle social media marketing. complete article Full Article
el 4 Ways to Develop Healthy Social Media Habits By www.rss-specifications.com Published On :: Thu, 6 Feb 2020 19:05:56 -0500 Do you feel bad after using social media? If you do, chances are you don’t have healthy habits when it comes to using it. So when you use social media, you’re harming your wellbeing in the process. Luckily there are a few things you can do to develop the right mindset and healthy habits to make you a happier, healthier social media user. Here are a few tips. 1. Moderate your use. Social media is an excellent tool to not only connect the world, but give creators freedom to express themselves and build communities around their work. However, it also has a dark side. 4 Ways to Develop Health Social Media Habits Full Article
el Feedly is developing an AI tool to help its users prioritize articles from RSS feeds By www.rss-specifications.com Published On :: Wed, 4 Mar 2020 12:42:03 -0500 Feedly, a popular RSS feed reader with millions of users worldwide, recently announced the creation of a new AI research assistant named Leo. Their goal with Leo is to create an AI with a set of skills that will enable it to better prioritize articles from news feeds. complete article Full Article
el Emerging Social Media Channels & Trends By www.rss-specifications.com Published On :: Thu, 12 Mar 2020 12:51:46 -0500 Social media trends are like friends; they come and go. However, the best friends and trends end up sticking around and evolving into permanent parts of our lives with qualities such as integrity, dependability, trust, quality and even ROI. complete article Full Article
el Emerging Social Media Channels & Trends By www.rss-specifications.com Published On :: Tue, 31 Mar 2020 13:05:13 -0500 Social media trends are like friends; they come and go. However, the best friends and trends end up sticking around and evolving into permanent parts of our lives with qualities such as integrity, dependability, trust, quality and even ROI. The bad friends and trendamies need to get weeded out before too much time, and resources get depleted. complete article Full Article
el Feedly is developing an AI tool to help its users prioritize articles from RSS feeds By www.rss-specifications.com Published On :: Wed, 13 May 2020 06:15:27 -0400 Feedly, a popular RSS feed reader with millions of users worldwide, recently announced the creation of a new AI research assistant named Leo. Their goal with Leo is to create an AI with a set of skills that will enable it to better prioritize articles from news feeds. Full Article
el Stop Travel Memories From Appearing in Your Social Media Feeds By www.rss-specifications.com Published On :: Mon, 18 May 2020 06:20:50 -0400 Our stress levels are at an all-time high right now, which means our attentiveness to our own self-care should be, too—especially those of us with wanderlust. Traveling from the living room to the kitchen and back is no one’s ideal of a vacation, yet here we are. On top of that, our social media platforms seem determined to remind us of better days: Hey, look where you were a year ago today! blares Facebook, serving up a photo of a gorgeous beach or other getaway spot much more alluring than the permanent butt-groove you have formed in your couch. For many of us, looking back on our travels past is not doing us much good at the moment. Luckily, there are a few methods to keep them from showing up in your social media feeds. Full Article
el How social media feels about the coronavirus By www.rss-specifications.com Published On :: Fri, 29 May 2020 06:29:29 -0400 An Italian-based artificial intelligence company is regularly analyzing social media posts about the coronavirus for their emotional content. Why it matters: Classifying tens of thousands of posts by their emotional tone provides a snapshot of how people feel about the pandemic. Spoiler alert: not great! How it works: Expert System specializes in semantics and natural language reading, a branch of AI involving computer systems that attempt to make sense of written language. In doing so, a computer can rapidly analyze vast amounts of the written word — like, for example, a day's worth of social media posts about the COVID-19 pandemic. For the past few weeks, Expert System has been collecting English language social media posts each day that feature frequently used hashtags like #coronalockdown and #covid19. Its AI can extract the emotional content of those posts, which is then analyzed and interpreted by Sociometrica. Full Article
el 43 Covid-19 cases on Saturday, active count below 1000 in Andhra Pradesh By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 15:34:17 IST Full Article
el 'Inhuman' comments about Amit Shah's health 'extremely condemnable': JP Nadda By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 16:49:28 IST Full Article
el Rodney Harrison: Jarrett Stidham must prove himself to earn trust By sports.yahoo.com Published On :: Fri, 08 May 2020 21:39:36 GMT Jarrett Stidham seems likely to get a chance to prove himself as the New England Patriots' next franchise quarterback. But Patriots Hall of Famer Rodney Harrison isn't ready to trust the second-year passer just yet. Full Article article News
el Patriots sign draft picks Devin Asiasi and Michael Onwenu to contracts By sports.yahoo.com Published On :: Fri, 08 May 2020 22:02:30 GMT The New England Patriots have been rapidly locking up their draft picks in the wake of the 2020 NFL Draft. They signed two more to contracts on Friday. Full Article article Sports