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Introducing electron correlation in solid-state calculations for superconducting states

Faraday Discuss., 2024, 254,598-611
DOI: 10.1039/D4FD00073K, Paper
Wilver A. Muriel, Trinidad Novoa, Carlos Cárdenas, Julia Contreras-García
The superconducting electron localization can be obtained from a common solid-state calculation, where correlation is introduced as a redistribution of electrons around the Fermi level. This is applied to two typical superconductors, H3S and LaH10.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Novel perturbative and variational methods for stronger correlations: general discussion

Faraday Discuss., 2024, 254,191-215
DOI: 10.1039/D4FD90041C, Discussion
Vibin Abraham, Kemal Atalar, Kenneth O. Berard, George H. Booth, Hugh G. A. Burton, Garnet K.-L. Chan, Francesco A. Evangelista, Maria-Andreea Filip, Emmanuel Giner, Alexander Gunasekera, Peter J. Knowles, Marie-Bernadette Lepetit, Ke Liao, Pierre-François Loos, Erika Magnusson, Nicholas J. Mayhall, Carlos Mejuto-Zaera, Frank Neese, Verena A. Neufeld, Pinkie Ntola, Felix Plasser, Visagan Ravindran, Christian Schilling, Gustavo Scuseria, James Shee, Benjamin X. Shi, David P. Tew, Alex J. W. Thom, Zikuan Wang, Dominika Zgid
The content of this RSS Feed (c) The Royal Society of Chemistry




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Correlation in extended systems: general discussion

Faraday Discuss., 2024, 254,682-707
DOI: 10.1039/D4FD90044H, Discussion
Ali Alavi, Kemal Atalar, Timothy C. Berkelbach, George H. Booth, Garnet Kin-Lic Chan, Francesco A. Evangelista, Tamar Goldzak, Andreas Grüneis, Gaurav Harsha, Venkat Kapil, Peter Knowles, Marie-Bernadette Lepetit, Julia Liebert, Arman Nejad, Verena A. Neufeld, Trinidad Novoa, Katarzyna Pernal, Felix Plasser, Umatur Rehman, Benjamin X. Shi, David P. Tew, Zikuan Wang, Carlos Mejuto-Zaera, Dominika Zgid, Andrew Zhu, Tianyu Zhu, Martijn A. Zwijnenburg
The content of this RSS Feed (c) The Royal Society of Chemistry




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DNA TV Show: Terror threat in Delhi after Rohini blast? Police tighten security ahead of Diwali

Many revelations are being made in the investigation of this bomb blast. The connection of the blasts is also being linked to Khalistan.




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DNA TV Show: Lawrence Bishnoi, big revelation behind the code name `Guruji'

By portraying himself as a religious person, is he attempting to distract attention from his criminal background?




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DNA TV Show: Lok Sabha MP Pappu Yadav claims threat by Lawrence Bishnoi, seeks protection from MHA

It is claimed that MP Pappu Yadav has been threatened by not one but two gangsters and both have claimed to be associated with Lawrence Bishnoi.




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DNA TV Show: Hindus in Bangladesh unite against fundamentalism

The protests included men, women, and children, many of whom dressed like Mahant Chinmay Krishna Das to show their support.




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How Biden's Lame-Duck Period Could Influence Policy Decisions After Choosing Not to Run in 2024

Joe Biden no longer needs to be concerned about how his actions may affect Kamala Harris's chances, as she is no longer in the race.




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Sanju Samson Birthday: Unique record held by Kerala cricketer in T20I that even MS Dhoni couldn't attain

Samson's journey has not been easy. New T20 captain Suryakumar Yadav and head coach Gautam Gambhir gave him confidence after a disappointing tour of Sri Lanka earlier this year when he struggled with form




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Champions Trophy: PCB to seek clarity from ICC after BCCI refuses to send Indian team to Pakistan

The PCB was told by the ICC that BCCI won't send its team to Pakistan after the decision was communicated to the world governing body.




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'He will play his last game in...': CSK CEO provides massive update on MS Dhoni's IPL future

Dhoni is all set to play his 18th season of the marquee tournament after being retained by his franchise under the 'uncapped player category.'




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Afghanistan Star Rahmanullah Gurbaz breaks Virat Kohli, Sachin Tendulkar's record, achieves THIS massive feat

This remarkable achievement came during a thrilling match against Bangladesh in Sharjah




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Pakistan Cricket looking to take BIG step on Champions Trophy issue, planning to...

India's refusal has led to growing speculation that the PCB may advise the Pakistani government to...




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Mohammed Shami to return to competitive cricket; star pacer set to play for...

Mohammed Shami set to return to competitive cricket after a hiatus of nearly a year through Bengal's Ranji Trophy match against Madhya Pradesh in Indore from Wednesday, announced Cricket Association of Bengal.




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Vistara to make last flight today before Air India merger, all you need to know

Vistara, a joint venture between Tata Group and Singapore Airlines, will fully merge with Air India, also owned by Tata Group.




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Sustainability Takes Center Stage in US Manufacturing with Leader Viralsinh Solanki at the Forefront

Viralsinh, a visionary software developer and manufacturing expert, has introduced state-of-the-art technologies such as the manufacturing execution system (MES).




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Delhi reports record high chikungunya, malaria cases in 5 years

The number of chikungunya cases in 2020 stood at 111, in 2021, there were 89 cases, in 2022, 48 cases, and in 2023, 65 cases.




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India's retail inflation rises to 6.21% in October amid higher food prices, breaches RBI's upper tolerance level

The consumer price index-based inflation was 4.87 per cent in October 2023.




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Collaborative global response a must to combat climate change effectively: Dr Sanju Purohit

Till a few years ago, people did not pay much heed to the issue of Climate Change, but some recent occurrences like the Polar Bear shooting in Iceland and flooding in Sahara Desert have raised an urgent alarm. To gather more information about the same, we spoke with Dr Sanju Purohit, a scholar and expert in Geology, Natural Resources and Climate Change. She spoke in detail about the recent incidences as well as issues such as the impact of migration & urbanization in the Indian context. Here are the excerpts from the interview:




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'Our relationship with India is much...': US Defense Secretary Lloyd Austin reflects on his 4-year tenure

Responding to a question, US Defense Secretary Lloyd Austin said the most important thing on voter's minds was the economy, and that's what people voted on.




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Calculated Risk: Exploring Iran's motives behind alleged Donald Trump assassination plot

FBI Director Christopher Wray stated on Friday that the charges revealed Iran's ongoing bold attempts to go after US citizens.




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Israel PM Netanyahu admits Israel's role in Hezbollah pager, walkie-talkie attacks that killed 39 people

The attacks, carried out on September 17 and 18, targeted thousands of handheld pagers and hundreds of walkie-talkies used by Hezbollah members across Lebanon and Syria.




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Donald Trump plans to pick Marco Rubio as US Secretary of State: Report

Following his win over Democratic candidate and US Vice President Kamala Harris, Trump is moving to fill out his foreign policy and national security team ahead of his formal inauguration in January 2025.




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Can Kamala Harris still become US President after losing election to Donald Trump? Know how it's possible

Some Democrats urge President Biden to step down so Kamala Harris despite losing to Trump to become the first...




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Mumbai: Rs 58000 crore plan approved to cut travel time across city; check details

The MMRDA has unveiled a Rs 58,000 crore plan to create a network of ring roads around Mumbai, aiming to reduce congestion and improve travel efficiency over the next five years.




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Mukesh Ambani's superhit plan for Jio users: Get OTT apps with 200GB extra data for 90 days for just Rs...

The plans come with free voice calling and free access to over 800 TV channels and several OTT apps.




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What is Mukesh Ambani, Nita Ambani's son Anant Ambani's annual salary? Know all about his net worth

Anant's compensation reflects his role within Reliance, while much of his income also comes from dividends and investments.




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Meet woman, who rejected Rs 3.6 lakh offer from Mukesh Ambani, didn't attend Anant Ambani, Radhika wedding due to...

Kavya's journey as an influencer began in January 2023 after she left her job to pursue content creation full-time. Originating from Nainital and having lived in both Delhi and Mumbai, her varied experiences have shaped her content.




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Maruti Suzuki launches new Dzire: Check price, features of Tata Tiago, Honda Amaze rival

The new Dzire will be available in three new colour options - Alluring Blue, Gallant Red, Nutmeg Brown, in addition to Arctic White, Splendid Silver, Bluish Black and Magma Grey colour options that are on offer.




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Meet woman, whose family was ashamed of her business, later her company was acquired by Mukesh Ambani, she is...

In 2016, she introduced Zivame Studios, creating an omni-channel experience and expanding Zivame's presence into tier 2 and tier 3 cities across India.




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Meet woman who left corporate world to start her company, daughter-in-law of Indian billioniare, runs...

She pursued an MBA at The Wharton School of the University of Pennsylvania, US. Her initial career began in pharmaceuticals at Pfizer.





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Teacher faces backlash for giving extra marks to students for THIS reason

The post has garnered 16 million views, igniting significant debate among social media users.




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Man claims he received 0.5 gm gold coin instead of 1 gm from Blinkit on Dhanteras, know what happened next

Delhi man allegedly 'got scammed' on Blinkit, claiming that he received 0.5gm gold coin on Dhanteras instead of 1gm gold coin that he ordered.




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India's biggest hit film released in 1988, made heroine a superstar after 10 flop films, is related to SRK, earned Rs..

Tezaab, released in November 1988, was a major commercial success at the box office, becoming the highest-grossing Indian film of the year. Running in theatres for over 50 weeks, it achieved Golden Jubilee status.




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Malayalam actor Siddique gets relief in rape case, Supreme Court extends interim protection from arrest

The Supreme Court bench passed the order after senior advocate Mukul Rohatgi, appearing for Siddique, said he had a bad throat and sought some time to argue the matter.




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Meet Dr Priti Challa, Kangana Ranaut film director Krish Jagarlamudi's second wife, she leads...

The 47-year-old is one of the most renowned gynaecologists and obstetricians in Hyderabad.




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'Will come and stay in your home...': Arvind Kejriwal addresses 'Janta ki Adalat' in Delhi

Days after tendering his resignation from the post of Chief Minister, AAP Supremo Arvind Kejriwal addressed 'Janta ki Adalat' in Delhi.




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Delhi to launch 'E-Detection' system: Here's how it will prevent polluting vehicles from entering

India to launch an e-detection system to identify old and polluting vehicles in Delhi before Diwali.




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Delhi school blast: NIA, NSG join probe; CM Atishi lashes out at centre, says 'situation like Mumbai's underworld era..'

A team of National Investigation Agency (NIA), as well as personnel from the National Disaster Relief Force on Sunday arrived at the site of explosion outside the CRPF school in Prashant Vihar, in Rohini area of national capital, which was rocked by a loud explosion early this morning.




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Critical review of fluorescence and absorbance measurements as surrogates for the molecular weight and aromaticity of dissolved organic matter

Environ. Sci.: Processes Impacts, 2024, 26,1663-1702
DOI: 10.1039/D4EM00183D, Critical Review
Open Access
Julie A. Korak, Garrett McKay
Optical surrogates are used to characterize dissolved organic matter composition like aromaticity and molecular weight. We both review the genesis of surrogate-composition relationships and critically evaluate additional supporting evidence.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Vehicular pollution as the primary source of oxidative potential of PM2.5 in Bhubaneswar, a non-attainment city in eastern India

Environ. Sci.: Processes Impacts, 2024, 26,1716-1735
DOI: 10.1039/D4EM00150H, Paper
Subhasmita Panda, Chinmay Mallik, S. Suresh Babu, Sudhir Kumar Sharma, Tuhin Kumar Mandal, Trupti Das, R. Boopathy
Overview of major PM2.5 sources responsible for catalytic ROS production.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Erosion of rigid plastics in turbid (sandy) water: quantitative assessment for marine environments and formation of microplastics

Environ. Sci.: Processes Impacts, 2024, 26,1847-1858
DOI: 10.1039/D4EM00122B, Paper
Ali Al-Darraji, Ibukun Oluwoye, Christopher Lagat, Shuhei Tanaka, Ahmed Barifcani
Mechanical degradation (erosion) of plastics in the marine environment has been reported in many literature studies but without quantitative information. Therefore, this study quantified the erosion of some plastics in the marine environment.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Experimental assessment of low temperature plasma devices for bacterial aerosol inactivation in the air duct of HVAC systems

Environ. Sci.: Processes Impacts, 2024, 26,1836-1846
DOI: 10.1039/D4EM00158C, Paper
Yang Lv, Xiaodong Wang, Beibei Wang, Wenjie Yuan
This study evaluates the effectiveness of low temperature plasma (LTP) devices in the air duct of HVAC systems, achieving 82% bacterial aerosol inactivation under optimal conditions, advocating their use in public buildings to improve air quality.
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Microplastics are effective carriers of bisphenol A and facilitate its escape from wastewater treatment systems

Environ. Sci.: Processes Impacts, 2024, 26,1811-1820
DOI: 10.1039/D4EM00297K, Paper
Wang Li, Bo zu, Lei Li, Jian Li, Jiawen Li, Qiujie Xiang
Microplastics (MPs) pollution is a major issue in aquatic environments.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Depletion rates of O2-naphthenic acids from oil sands process-affected water in wetland microcosms

Environ. Sci.: Processes Impacts, 2024, 26,1859-1867
DOI: 10.1039/D4EM00227J, Paper
Alexander M. Cancelli, Frank A. P. C. Gobas
Depuration in OSPW occurs by mechanisms of natural attenuation, sorption and microbial degradation, and plant-mediated uptake and biotransformation.
The content of this RSS Feed (c) The Royal Society of Chemistry




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A 150 years record of polycyclic aromatic compounds in the Sihailongwan Maar Lake, Northeast China: impacts of socio-economic developments and pollution control

Environ. Sci.: Processes Impacts, 2024, 26,1748-1759
DOI: 10.1039/D4EM00309H, Paper
Jianing Zhang, Chong Wei, Yongming Han, Benjamin A. Musa Bandowe, Dewen Lei, Wolfgang Wilcke
The geochemical composition of sediment cores can serve as a proxy for reconstructing past human and nature-driven environmental and climatic changes.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Pollution characteristics and risk assessment of endocrine-disrupting chemicals in surface water of national (freshwater) aquatic germplasm resource reserves in Guangdong Province

Environ. Sci.: Processes Impacts, 2024, 26,1898-1911
DOI: 10.1039/D4EM00425F, Paper
Tao Zhou, Jie Li, Weizhen Zhang, Yanyi Zeng, Yuan Gao, Haiyan Li, Wanling Yang, Yongzhan Mai, Qianfu Liu, Caiqin Hu, Chao Wang
EE2, E1, BPA, NP, and E2 were identified as high-risk substances based on comprehensive ecological risk evaluation and fish are the most sensitive organisms.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Critical insights into data curation and label noise for accurate prediction of aerobic biodegradability of organic chemicals

Environ. Sci.: Processes Impacts, 2024, 26,1780-1795
DOI: 10.1039/D4EM00431K, Paper
Open Access
Paulina Körner, Juliane Glüge, Stefan Glüge, Martin Scheringer
The newly developed classifier has a balanced accuracy of 94.2%, better than any other classification model for aerobic biodegradability so far. During the model development, some data points needed to be excluded due to a very high variance.
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Assessment of extracellular polymeric substances production and antioxidant defences in periphytic communities exposed to effluent contaminants

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00446A, Paper
Carlos Silva, Etelvina Figueira, Diana Matos, Carina Sá, Tânia Vidal, Fernando José Mendes Gonçalves, Nelson Abrantes, Joana Luísa Pereira
Periphyton is frequently used in the evaluation of the ecological status of aquatic ecosystems using diatoms as a proxy.
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