ng [ASAP] Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy Benchmark By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01294 Full Article
ng [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
ng [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
ng [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
ng [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
ng [ASAP] Polarizable Molecular Dynamics Simulations of Two <italic toggle="yes">c-kit</italic> Oncogene Promoter G-Quadruplexes: Effect of Primary and Secondary Structure on Loop and Ion Sampling By feedproxy.google.com Published On :: Thu, 30 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00191 Full Article
ng [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
ng [ASAP] Introducing Virtual Oligomerization Inhibition to Identify Potent Inhibitors of Aß Oligomerization By feedproxy.google.com Published On :: Mon, 04 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00185 Full Article
ng [ASAP] Implementation of Coherent Switching with Decay of Mixing into the SHARC Program By feedproxy.google.com Published On :: Mon, 04 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00112 Full Article
ng [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
ng [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
ng [ASAP] Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01193 Full Article
ng [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
ng [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
ng [ASAP] Predicting Reactive Cysteines with Implicit-Solvent-Based Continuous Constant pH Molecular Dynamics in Amber By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00258 Full Article
ng [ASAP] Comprehensive Evaluation of Fourteen Docking Programs on Protein–Peptide Complexes By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01208 Full Article
ng [ASAP] OPUS-Fold: An Open-Source Protein Folding Framework Based on Torsion-Angle Sampling By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00186 Full Article
ng [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
ng [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
ng [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
ng Centre, Bengal in tussle over migrant trains By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 11:38:35 GMT The return of migrant workers to West Bengal has become another flashpoint between the Centre and the TMC-led state government with home minister Amit Shah alleging that the state government is not allowing special trains. However, the TMC government accused the Centre of "lying" and said they have planned eight trains to ferry migrants. Full Article
ng I am healthy, not suffering from any disease: Shah By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 12:07:45 GMT Union home minister Amit Shah on Saturday said he is "totally healthy" and not suffering from any disease. Shah said rumours about his health conditions have been spread through social media. "I am totally healthy and I am not suffering from any disease," he said in the statement in Hindi which was posted on his Twitter handle. Full Article
ng Live: Covid testing capacity scaled up to 95,000 per day, says Centre By timesofindia.indiatimes.com Published On :: Fri, 08 May 2020 21:27:08 GMT India’s Covid-19 count is nearing 60,000 mark with 59,662 cases after new cases topped 3,000 for the third consecutive day. The overall death toll too was just short of 2,000 at 1,981. Overall, 3,294 fresh cases were reported from states in past 24-hour. Stay here for all live updates Full Article
ng 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
ng 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
ng 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
ng Rapid determination of Ba isotope compositions for barites using H2O-extraction method and MC-ICP-MS By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Accepted ManuscriptDOI: 10.1039/D0JA00078G, PaperLan-Lan Tian, Ying-Zeng Gong, Wei Wei, Jin-Ting Kang, Hui-Min Yu, Fang HuangThis study presents a rapid and simple method of high precision Ba isotope measurement for barite using H2O extraction. The main challenge for analyzing Ba isotope composition of barite is...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
ng High performance method for the accurate and precise determination of silicon isotopic compositions in bulk silicate rock samples using laser ablation MC-ICP-MS By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Accepted ManuscriptDOI: 10.1039/D0JA00036A, PaperChenxi Zhang, He Zhao, Wen Zhang, Tao Luo, Ming Li, Keqing Zong, Yongsheng Liu, Zhaochu HuMC-ICP-MS has become one of the most powerful analytical methods for Si isotopes in bulk liquid and solid samples in the past decade. Laser ablation provides direct sampling of solid...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
ng High-resolution atomic structure of rubidium compounds in L X-ray spectral lines: a promising explores for chemical analysis By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Accepted ManuscriptDOI: 10.1039/D0JA00063A, PaperHarpreet Singh KainthThe outcomes of X-ray fluorescence (XRF) analysis have been made an immense influence on the chemical profiles in various materials used for industrial and medical purposes. In the beginning of...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
ng Zirconium stable isotope analysis of zircon by MC-ICP-MS: Methods and application to evaluating intra-crystalline zonation in a zircon megacryst By feeds.rsc.org Published On :: J. Anal. At. Spectrom., 2020, Accepted ManuscriptDOI: 10.1039/C9JA00315K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Hannah G. D. Tompkins, Lisa Joanne Zieman, Mauricio Ibañez-Mejia, François L.H. TissotZirconium (Zr) plays a key role in the development of phases like zircon (ZrSiO4) and baddeleyite (ZrO2) in magmatic systems. These minerals are crucial for the study of geologic time...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
ng 09/23:39 EST Marine Wind Warning Summary for Queensland By www.bom.gov.au Published On :: Sat, 09 May 2020 13:39:54 GMT Full Article
ng Depending On Jesus By feeds.christianitytoday.com Published On :: Thu, 31 Oct 2019 01:48:00 PDT Discovering the sufficiency of Christ. Full Article
ng Top 10 Digital Bible Studies for Spring 2020 By feeds.christianitytoday.com Published On :: Wed, 25 Mar 2020 01:04:00 PDT Full Article
ng 'The Great Khali' vows revenge By timesofindia.indiatimes.com Published On :: Sat, 27 Feb 2016 12:32:24 IST Full Article
ng Annual Tech Report Outlines Coming Shifts in Social Media and Digital Marketing By www.rss-specifications.com Published On :: Fri, 2 Aug 2019 14:11:54 -0400 First off, Meeker looks at the growth of internet adoption, which is slowing as regions work on new infrastructure to facilitate connection. It's amazing to consider that around 50% of the world is still not connected to the internet, which highlights the opportunities for expansion, but also, the challenges now faced in getting the rest of the world online. complete article Full Article
ng 9 Types of Content to Stop Posting on Social Media By www.rss-specifications.com Published On :: Mon, 5 Aug 2019 14:12:49 -0400 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 Full Article
ng Stop Doing These 7 Embarrassing Things on Social Media By www.rss-specifications.com Published On :: Thu, 1 Aug 2019 14:17:08 -0400 When you think about embarrassing social media behavior, you probably think about octogenarians who accidentally post their phone numbers in a Facebook status. But embarrassing social media perils are everywhere for users of all ages, particularly for actors. But it is 2019 and social media is as important to your acting brand as your signature monologue or audition song, so we want to help you avoid these digital landmines and lead with your best online foot forward. complete article Full Article
ng Everything You Need to Know About Instagram Business Accounts By www.rss-specifications.com Published On :: Mon, 12 Aug 2019 14:22:06 -0400 Looking to get maximize your use of Instagram for business? With a billion users and counting, and with more business options on the way, it makes sense to give Instagram more consideration in your process, and how it can potentially help you connect with your target audience. To help with this, the team from TechWyse have put together this new infographic overview of Instagram business profiles and ad options, with a range of stats and insights to help you make best use of each. complete article Full Article
ng RSS Feeds for Engineers By www.rss-specifications.com Published On :: Mon, 19 Aug 2019 14:29:05 -0400 RSS or news feeds are one way to keep up on whats happening in the industry. Here are some tips to get the most out of them. RSS Feeds for Engineers Full Article
ng 20 Amazing Facts About Facebook [Infographic] By www.rss-specifications.com Published On :: Wed, 18 Sep 2019 17:54:53 -0400 Few companies have been as instrumental in the growth and development of social media as Facebook. From its rise to popularity out of a student dorm room, all the way to its purchases of rival social media giants, Facebook has, in large part, built the social media world that we live in today. complete article Full Article
ng Glassdoor Finds That Twitter Is the Top-Paying Social Network in 2019 By www.rss-specifications.com Published On :: Thu, 26 Sep 2019 17:56:40 -0400 Twitter topped its social network competition on job and recruiting site Glassdoor’s list of the 25 highest paying companies in 2019, coming in at No. 3 overall with a median base salary of $162,852. Other social networks to crack the top 25 were LinkedIn (No. 7, $157,402) and Facebook (No. 8, $152,962). The list was dominated by tech firms, many of which are based in Silicon Valley. complete article Full Article
ng 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
ng 11 Surprising Social Media Tips That Really Work For Businesses By www.rss-specifications.com Published On :: Wed, 9 Oct 2019 18:05:51 -0400 Social media continues to surge as a channel for businesses to market themselves and engage with customers. And with its continued growth and popularity, there is no shortage of social media “how-to” advice out there directed at businesses trying to scale up. If you make it a point to keep up with social media trends, you’ve likely found at least some overlap in these tips—but every so often, there are unconventional or uncommon practices that can lead to great results. As experts in social media marketing, the members of Young Entrepreneur Council shared their most surprising social media tips—that truly work—and how you can take advantage for your business. complete article Full Article
ng 5 Rising Social Media Platforms to Watch By www.rss-specifications.com Published On :: Fri, 18 Oct 2019 18:15:53 -0400 Facebook, Instagram, Twitter. If you’re a smart marketer, you have been using the these top social media giants to share your content, promote your products and services and grow your business. But rival platforms are being created all the time, and while many of them don’t reach the same heights of success, a handful could give mega-popular platforms a run for their money. Moreover, if you’re an early adopter of up-and-coming alternatives, your company could reap the biggest benefits. If you want to be ahead of the curve, keep your eye on the following five social media platforms to watch. complete article Full Article
ng What is social medias role in combating the spread of misinformation? By www.rss-specifications.com Published On :: Mon, 21 Oct 2019 09:10:25 -0400 How have the rise of social media and spread of misinformation changed the news media landscape? As a major election year nears and the public questions the role of Facebook in combating misinformation, Andrew Pergam, director of governance and strategic initiatives at Facebook, gave a glimpse of what is happening behind the scenes at the social media company during a symposium at the University of Utah on Friday. Misinformation is one of the companys most pressing and scrutinized issues, he said. We are under an immense amount of pressure to do more to tackle viral information more quickly. complete article Full Article
ng 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
ng An Easy Guide to Creating Social Media Videos that Drive Results By www.rss-specifications.com Published On :: Mon, 28 Oct 2019 09:17:45 -0400 When was the last time you watched a video on Facebook? What about Instagram or Twitter? My guess is that it was probably within the last day. The reason for this guess is because video continues to be one of the most powerful forms of content on social media. You can not take a digital step without coming face-to-face with a video – and there is a reason for this. complete article Full Article
ng 10 Steps To Build A Strong Social Media Brand By www.rss-specifications.com Published On :: Fri, 1 Nov 2019 09:25:34 -0400 When you really think about it, marketing has come a long way in just a few decades. Marketing tactics are more sophisticated (and more effective) than ever before, and social media marketing has ensured that every business on the planet has a voice. There is just one problem. In a world where every business on the planet has a megaphone, how can you make sure that your voice is heard? Having a strong brand seems to be the only way to consistently get ahead of the competition, but it is not easy. complete article Full Article
ng 5 Actionable Social Media Marketing Tips For Gig Workers By www.rss-specifications.com Published On :: Mon, 4 Nov 2019 09:28:20 -0400 Gig workers who are totally localized (caterers, electricians, painters, plumbers, wedding planners, etc.) often discount the value of using social media for their marketing. Why? Because these platforms are at least national, if not international and what would be a use for a local business? Indeed, localized SEO and local advertising can drive you a steady stream of traffic and revenue. But you should not discount social media as a good tool for your marketing. Here are five actionable social media marketing tips for local contractors and other gig workers. 1. Geo tagging and targeting is your allies Social media platforms may have global reach, but they also allow you to go very granular with your marketing. complete article Full Article
ng Examining the dangers of Generation Z’s social media habit By www.rss-specifications.com Published On :: Wed, 6 Nov 2019 09:33:22 -0400 According to the National Center for Health Research, people who visited social media platforms 58 times or more per week were three times more likely to feel socially isolated. The center also found that heavy social media users are 2.2 times more likely to have eating and body image issues than moderate users. complete article Full Article