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[ASAP] Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA(CCSD) Methods

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01300




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[ASAP] Comparison of Spin-Flip TDDFT-Based Conical Intersection Approaches with XMS-CASPT2

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b00917




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[ASAP] Implementation of Coherent Switching with Decay of Mixing into the SHARC Program

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00112




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[ASAP] Stability of Two-Quartet G-Quadruplexes and Their Dimers in Atomistic Simulations

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01068




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[ASAP] Reduced-Order Modeling Approach for Electron Transport in Molecular Junctions

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01090




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[ASAP] Direct Unconstrained Variable-Metric Localization of One-Electron Orbitals

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01286




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[ASAP] Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01193




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[ASAP] Markov State Model Analysis of Haloperidol Binding to the D<sub>3</sub> Dopamine Receptor

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00013




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[ASAP] Predicting Reactive Cysteines with Implicit-Solvent-Based Continuous Constant pH Molecular Dynamics in Amber

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00258




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[ASAP] Electronic Structure of Multicomponent Organic Molecular Materials: Evaluation of Range-Separated Hybrid Functionals

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00138




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[ASAP] Charge Interactions Modulate the Encounter Complex Ensemble of Two Differently Charged Disordered Protein Partners of KIX

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01264




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[ASAP] Artificial Neural Networks Applied as Molecular Wave Function Solvers

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01132




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[ASAP] Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00268




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Govt revises discharge policy for Covid patients

Coronavirus patients developing severe illness or having compromised immunity will have to test negative through RT-PCR test before being discharged, the health ministry said on Friday in its revised discharge policy for Covid-19 cases. Earlier, a patient was considered fit to be discharged if he/she tested negative on day 14 and then again in a span of 24 hours.




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Maruti confirms new S-Cross launch post-lockdown

Maruti Suzuki S-Cross facelift was showcased at the Auto Expo 2020. The company has phased out the diesel engine and replaced it with the 1.5-litre, K-Series, BS6-compliant, petrol engine, much like the XL6, Ertiga and the facelift Brezza. Earlier, S-Cross was only available in diesel option with a manual gearbox.




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Narco-terrorist held; funded terror in J&K

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.




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302 trains run so far for migrants: Railways

The Indian Railways has operated 302 ‘Shramik Special' trains since May 1 and ferried home more than 3 lakh migrants stranded in various parts of the country amid the coronavirus-induced lockdown, officials said. The national transporter has planned to operate 47 trains on Saturday, out of which 34 trains have already departed, they said.




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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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‘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

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00066C, Paper
Grant Craig, Matthew S. A. Horstwood, Helen J. Reid, Barry L. Sharp
Gaps 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




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Iso-Compass: new freeware software for isotopic data reduction of LA-MC-ICP-MS

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00084A, Technical Note
Wen Zhang, Zhaochu Hu, Yongsheng Liu
New freeware, Iso-Compass, is developed specifically to process the isotope data from LA-MC-ICP-MS and MC-ICP-MS.
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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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)

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00026D, Paper
Jeyne Pricylla Castro, Edenir Rodrigues Pereira-Filho, Rasmus Bro
For 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




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Interaction of nanoparticle properties and X-ray analytical techniques

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00049C, Paper
Rainer Unterumsberger, Philipp Hönicke, Yves Kayser, Beatrix Pollakowski-Herrmann, Saeed Gholhaki, Quanmin Guo, Richard E. Palmer, Burkhard Beckhoff
In this work, Pt–Ti core–shell nanoparticles were characterized using reference-free X-ray fluorescence analysis and used for the investigation of the modification of the X-Ray Standing Wave (XSW) field intensity with increasing NP surface coverage.
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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Rapid determination of Ba isotope compositions for barites using H2O-extraction method and MC-ICP-MS

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00078G, Paper
Lan-Lan Tian, Ying-Zeng Gong, Wei Wei, Jin-Ting Kang, Hui-Min Yu, Fang Huang
This 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




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Secondary Ion Mass Spectrometry for Biological Applications

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA90020F, Editorial
Dirk Schaumlöffel
Dirk Schaumlöffel introduces the JAAS themed collection on Secondary Ion Mass Spectrometry for Biological Applications.
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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Ultra-sensitive determination of antimony valence by solution cathode glow discharge optical emission spectrometry coupled with hydride generation

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00009D, Paper
Mingyue Zhao, Xiaoxu Peng, Bingcheng Yang, Zheng Wang
An ultra-sensitive solution cathode glow discharge-optical emission spectrometry (SCGD-OES) method coupled with hydride generation (HG) for the determination of antimony valence is described.
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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A total consumption (up to 75 μL min−1) infrared-heated sample introduction system for inductively coupled plasma optical emission spectrometry

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00068J, Paper
Ahmed Al Hejami, Mirah J. Burgener, John Burgener, Diane Beauchemin
A 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




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Extractive separation of rare earth elements and their determination by inductively coupled plasma optical emission spectrometry in geological samples

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00190B, Paper
Susanta Kumar Pradhan, Balram Ambade
A 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




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09/23:39 EST Marine Wind Warning Summary for Queensland




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Top 3 Bible Studies on Gray Areas of Faith for Fall 2019

This fall’s top three list cover bible studies on gray areas of faith. Each curriculum gives you resources to lead a group study, but is also perfect as your own personal study.




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Sachin bats for charity




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Sania, Martina enter final




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Sania, Martina win Aus Open




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Akhtar slams Indian pacers




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33-year-old Olympic medal winner dies from cancer




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Annual Tech Report Outlines Coming Shifts in Social Media and Digital Marketing

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




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Stop Doing These 7 Embarrassing Things on Social Media

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




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Cyber Warfare: Army Deploys Social Media Warfare Division To Fight Russia

The U.K.s new special cyber operations unit, 6 Division (6 Div), will move beyond the typical cyber capabilities within the military sphere into full-blown social media "information warfare." And here the primary adversary is Russia, which has turned the dark art of peddling fake news and political propaganda across major social media platforms into a national security strategy.

Much of the work of the new unit will be relatively traditional signals activities—jamming and intercepting enemy comms, supporting the field world of allied intelligence agencies.

complete article




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Artificial Intelligence Influencing Social Media

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




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Influencers prepare for an Instagram without likes

With over 23,000 followers on Instagram, Sam McAllister may not have quite as big of an audience as influencers like Kim Kardashian or Lele Pons. But one of McAllisters major selling points has been his number of likes.

complete article




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How to Develop a Social Media Marketing Strategy for Your Business

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




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5 Actionable Social Media Marketing Tips For Gig Workers

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




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The Three-Step Social Media Marketing Machine

When I look back at all of the mistakes I’ve made in business and marketing and add my observations from working with over 57,000 business owners and entrepreneurs in nearly every country in the world, it dawned on me.

Social media marketing success boils down to three simple steps.


The Three-Step Social Media Marketing Machine




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Five Social Media Marketing Mistakes You Must Avoid

Social media marketing is a strategy employed by many companies. One of the biggest complaints I hear from businesses is that they're not having much success on social media. The thing is that certain social media marketing mistakes can cause brands to fail. I'll be addressing several issues that may be impacting your social media efforts in this article.

Are you making any of the following mistakes?

Five Social Media Marketing Mistakes You Must Avoid




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4 Social Media Marketing Tricks You Need to Know in 2020

Believe it or not, 80 percent of internet users globally have at least one social media account. In total, social media users exceeded 3.4 billion people in 2019. Business owners and marketers know that these platforms are vital for the success of their business. Due to their desire to improve, brand managers are continually looking for ways to connect with their audience and keep them invested in the company.

4 Social Media Marketing Tricks You Need to Know in 2020





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The Most Popular Social Media Influencers

With influencer marketing becoming more... um, influential, it is worth noting which online identities are generating the most attention, and considering what that means for your outreach strategies.

And while you might not necessarily be able to get PewDiePie to endorse your products, it is interesting to consider how these popular identities are building their platforms, which could provide some guidance as to where people are looking, or even just give you an indicator of which creators to look to for inspiration with your own content.

The Most Popular Social Media Influencers




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Bloomberg Bankrolls a Social-Media Army to Push Message

Michael Bloombergs presidential campaign is hiring hundreds of workers in California to post regularly on their personal social-media accounts in support of the candidate and send text messages to their friends about him.

complete article




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Feedly is developing an AI tool to help its users prioritize articles from RSS feeds

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




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The Best Times to Post on Social Media According to Research [Infographic]

Are you looking for ways to generate more engagement on social media? Want to ensure you’re posting at the best times for your audience?

While the exact right times to post will vary based on each unique audience group, the team from CoSchedule have put together a guide, based on a range of studies and reports, which highlights when brands in a range of sectors tend to see the most engagement on each of the major social platforms.

Again, there are unique variables for each business, but this overview could serve as a good starting point for planning out your social posting strategy, and maximizing engagement.

complete article




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Smart RSS Reader is a feed reader extension for Firefox and Chrome

Web based feed readers are kind of a pain to use. They often implement changes that you do not want, while taking away features that you like.  Local readers are much better when it comes to this, because you can revert to an older version in case of adverse changes.

complete article