nc Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,315-331DOI: 10.1039/D4FD00033A, PaperDiata Traore, Julien Toulouse, Emmanuel GinerWe present the first application to real molecular systems of the recently proposed linear-response theory for the density-based basis-set correction method [J. Chem. Phys., 158, 234107 (2023)].The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,542-569DOI: 10.1039/D4FD00062E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kemal Atalar, Yannic Rath, Rachel Crespo-Otero, George H. BoothEfficient multi-state interpolation of many-body wavefunctions enables rigorous nonadiabatic molecular dynamics with analytical forces and nonadiabatic coupling vectors.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Striking the right balance of encoding electron correlation in the Hamiltonian and the wavefunction ansatz By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,359-381DOI: 10.1039/D4FD00060A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Kalman Szenes, Maximilian Mörchen, Paul Fischill, Markus ReiherWe present a discussion of explicit correlation approaches which address the nagging problem of dealing with static and dynamic electron correlation in multi-configurational active-space approaches.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Multi-reference coupled cluster theory using the normal ordered exponential ansatz By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,170-190DOI: 10.1039/D4FD00044G, PaperAlexander D. Gunasekera, Nicholas Lee, David P. TewWe examine Lindgren's normal-ordered exponential ansatz to correlate specific spin states using spin-free excitation operators, with the aid of automatic equation generation software.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Concluding remarks By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,708-717DOI: 10.1039/D4FD00152D, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Francesco A. EvangelistaA summary of the research themes covered during the 2024 Faraday Discussion on Correlated electronic structure and the author’s perspective on the challenges and open frontiers of the field.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Here’s How 11 Expert Marketers Define B2B Influencer Marketing By www.toprankmarketing.com Published On :: Wed, 28 Aug 2024 13:00:41 +0000 What is B2B influencer marketing? I get asked this question quite often. Especially by non-marketers, who have the assumption I... The post Here’s How 11 Expert Marketers Define B2B Influencer Marketing appeared first on TopRank® Marketing. Full Article Influencer Marketing
nc Try These 7 B2C Influencer Marketing Tactics for B2B Success By www.toprankmarketing.com Published On :: Mon, 09 Sep 2024 13:00:35 +0000 Despite their differences, business-to-consumer (B2C) and business-to-business (B2B) influencer marketing share several key similarities. Both audiences seek value, with a... The post Try These 7 B2C Influencer Marketing Tactics for B2B Success appeared first on TopRank® Marketing. Full Article Influencer Marketing
nc DNA TV Show: What is BRICS currency? Is it possible to introduce it today? By www.dnaindia.com Published On :: Tue, 22 Oct 2024 18:07:15 GMT There is a discussion about introducing BRICS currency so that trade between BRICS countries becomes easy. Full Article Analysis
nc DNA TV Show: Congress not to contest UP by-polls, lends 'unconditionally' support to SP By www.dnaindia.com Published On :: Thu, 24 Oct 2024 18:16:51 GMT Samajwadi Party has announced its candidates for all nine seats for the November 13 Uttar Pradesh Assembly bypolls. Full Article Analysis
nc Need for a nuanced approach and realistic expectations from BRICS+ By www.dnaindia.com Published On :: Fri, 25 Oct 2024 07:27:00 GMT PM Modi met with Chinese President Xi Jinping on the sidelines of the BRICS+ Summit. This was the first meeting between Modi and Xi after the military standoff between both countries in Galwan in 2020 (the previous one being in Mahabalipuram in 2019). Full Article Analysis
nc DNA TV Show: Lawrence Bishnoi, big revelation behind the code name `Guruji' By www.dnaindia.com Published On :: Fri, 25 Oct 2024 17:45:00 GMT By portraying himself as a religious person, is he attempting to distract attention from his criminal background? Full Article Analysis
nc DNA TV Show: Lok Sabha MP Pappu Yadav claims threat by Lawrence Bishnoi, seeks protection from MHA By www.dnaindia.com Published On :: Mon, 28 Oct 2024 18:28:28 GMT 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. Full Article Analysis
nc DNA TV Show: Why RBI increasing gold reserves amid record high price of yellow metal By www.dnaindia.com Published On :: Wed, 30 Oct 2024 17:50:32 GMT By the end of September, the RBI had a total of 855 tonnes of gold, of which 510.5 tonnes were kept safe within India. Full Article Analysis
nc How Biden's Lame-Duck Period Could Influence Policy Decisions After Choosing Not to Run in 2024 By www.dnaindia.com Published On :: Thu, 07 Nov 2024 14:57:50 GMT 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. Full Article Analysis
nc DNA TV Show: Why Pakistan worried about a Donald Trump presidency By www.dnaindia.com Published On :: Thu, 07 Nov 2024 17:56:34 GMT Donald Trump won this time both in terms of popular votes and electoral college votes. Full Article Analysis
nc IPL 2025: CSK CEO breaks silence on rumours linking Rishabh Pant with Chennai Super Kings, says 'We discussed...' By www.dnaindia.com Published On :: Mon, 11 Nov 2024 08:26:00 GMT Viswanathan said we had discussions with Ruturaj Gaikwad, MS Dhoni, and coach Stephen Fleming Full Article Sports Cricket
nc KL Rahul breaks silence on LSG exit in IPL, says, 'I wanted to go...' By www.dnaindia.com Published On :: Mon, 11 Nov 2024 14:20:00 GMT Rahul made 1410 runs, making him the team's leading run-getter in three seasons, before not being retained by the Lucknow Super Giants ahead of the 2025 season. Full Article Sports Cricket
nc Delhi air pollution: No relief for Delhi-NCR as air quality remains in 'very poor' category; AQI breaches 400-mark in... By www.dnaindia.com Published On :: Tue, 12 Nov 2024 01:49:00 GMT Some of the areas worst affected by air pollution included Wazirpur (AQI at 421), Jahangirpuri (419) and Anand Vihar (403), where the air quality dropped to 'severe' levels. Full Article India
nc India's retail inflation rises to 6.21% in October amid higher food prices, breaches RBI's upper tolerance level By www.dnaindia.com Published On :: Tue, 12 Nov 2024 11:54:30 GMT The consumer price index-based inflation was 4.87 per cent in October 2023. Full Article India
nc Amid threats of violent protests, Brampton Triveni temple cancels event By www.dnaindia.com Published On :: Tue, 12 Nov 2024 01:57:00 GMT The authorities appologised to the community members, stating, "We apologize to all community members who were depending on the event. We are deeply saddened that Canadians now feel unsafe coming to Hindu Temples in Canada." Full Article World
nc Maruti Suzuki launches new Dzire: Check price, features of Tata Tiago, Honda Amaze rival By www.dnaindia.com Published On :: Mon, 11 Nov 2024 10:20:00 GMT 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. Full Article Business Automobile
nc What Elon Musk-owned Starlink requires to get licence for services in India? Union Minister Jyotiraditya Scindia says.. By www.dnaindia.com Published On :: Tue, 12 Nov 2024 09:08:00 GMT The minister said the satellite internet services provider is in the process of completing all the requirements and they will get a licence once they complete the process. Full Article Business
nc Mukesh Ambani set to invest Rs 65000 crore in THIS Indian state, it will be Reliance's biggest... By www.dnaindia.com Published On :: Tue, 12 Nov 2024 10:23:00 GMT This initiative is part of Reliance's clean energy programme, which is led by Mukesh Ambani's son Anant Ambani. Full Article Business
nc Key Differences Between the Indian Stock Market and Global Indices By www.dnaindia.com Published On :: Tue, 12 Nov 2024 10:42:13 GMT The world of stock markets has different characteristics in each country, shaped by the underlying economy, regulations, and also investor behaviour. Full Article Business
nc Delhi-NCR weather update: IMD predicts light rain for next four days, minimum temperature to be... By www.dnaindia.com Published On :: Wed, 25 Sep 2024 00:48:00 GMT Following intermittent rains, Delhi-NCR has been witnessing heat and humidity for the past few days. Full Article India Delhi
nc Delhi CM Atishi announces hiked minimum wage for unorganised sector workers By www.dnaindia.com Published On :: Wed, 25 Sep 2024 12:10:00 GMT Delhi Chief Minister Atishi on Wednesday announced Rs 18,066 in minimum wage for unskilled, Rs 19,929 for semi-skilled, and Rs 21,917 for skilled workers in the unorganised sector. Full Article India Delhi
nc Delhi-NCR weather report: National capital to witness clear skies on first day of Navratri, know IMD updates for next... By www.dnaindia.com Published On :: Thu, 03 Oct 2024 01:12:00 GMT As the monsoon marked its exit from the national capital and the adjoining NCR, the city has been witnessing hot weather as well as clear skies. Full Article India Delhi
nc AAP Supremo Arvind Kejriwal to relocate to party's RS MP Ashok Mittal's residence in Delhi By www.dnaindia.com Published On :: Thu, 03 Oct 2024 06:01:00 GMT Aam Aadmi Party (AAP) Supremo Arvind Kejriwal will relocate to a bungalow at 5, Ferozshah Road, Delhi, which is currently allotted to the party's Rajya Sabha MP Ashok Mittal, the party has conformed. Full Article India Delhi
nc Weather update: Delhi-NCR wakes up to rainy morning, IMD warns of extremely heavy rains in... By www.dnaindia.com Published On :: Sat, 05 Oct 2024 01:15:00 GMT The national capital and the adjoining NCR woke up to a rainy morning today. This comes after the city has been witnessing hot and humid weather for the past few days. Full Article India Delhi
nc Delhi to launch 'E-Detection' system: Here's how it will prevent polluting vehicles from entering By www.dnaindia.com Published On :: Sat, 12 Oct 2024 12:41:00 GMT India to launch an e-detection system to identify old and polluting vehicles in Delhi before Diwali. Full Article India Delhi
nc Delhi-NCR's air quality turns 'very poor', situation likely to worsen till... By www.dnaindia.com Published On :: Sat, 19 Oct 2024 03:23:00 GMT The Air Quality Index (AQI) in Delhi's Anand Vihar has been recorded at 334, which is classified as 'very poor'. Full Article India Delhi
nc Delhi-NCR update: Jewar Airport to run 25 domestic, three international flights on first day of operations By www.dnaindia.com Published On :: Sun, 20 Oct 2024 01:48:19 GMT Noida International Airport, named Jewar Airport, is set to start commercial flight operations on April 17, 2025. Full Article India Delhi
nc Swati Maliwal pours bottle of polluted water outside Delhi CM Atishi's residence; WATCH By www.dnaindia.com Published On :: Sat, 02 Nov 2024 13:58:24 GMT She also placed the bottle of polluted water just outside the gate of Chief Minister Atishi's residence. Full Article India Delhi
nc Delhi-NCR update: No relief from pollution as AQI continues to remain 'very poor' By www.dnaindia.com Published On :: Sat, 09 Nov 2024 02:03:00 GMT The residents of Delhi and the adjoining NCR region are seeing no relief from pollution as the Air Quality Index (AQI) continued to remain under the 'very poor' category. Full Article India Delhi
nc Critical review of fluorescence and absorbance measurements as surrogates for the molecular weight and aromaticity of dissolved organic matter By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, 26,1663-1702DOI: 10.1039/D4EM00183D, Critical Review Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Julie A. Korak, Garrett McKayOptical 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 Full Article
nc Fungal diversity and key functional gene abundance in Iowa bioretention cells: implications for stormwater remediation potential By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, 26,1796-1810DOI: 10.1039/D4EM00275J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Erica A. Wiener, Jessica M. Ewald, Gregory H. LeFevreFungal communities within bioretention cells were diverse, including taxa capable of biodegrading recalcitrant contaminants, and influenced by plant type. Fungal functional genes demonstrate bioremediation potential in stormwater infrastructure.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Impact of particle size separation on the stabilisation efficiency of heavy-metal-contaminated soil: a meta-analysis By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, 26,1821-1835DOI: 10.1039/D4EM00308J, PaperLixia Sun, Yunlong Zhang, Bo Wu, Enzhu Hu, Linlin Li, Longlong Qu, Shuqi LiThe meta-method was used to analyze the impact of soil sieving particle size on the unit stabilisation efficiency of heavy metals.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Combining a tunable pinhole with synchronous fluorescence spectrometry for visualization and quantification of benzo[a]pyrene at the root epidermis microstructure of Kandelia obovata By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, 26,1879-1886DOI: 10.1039/D4EM00443D, PaperBingman Lei, Yaxian Zhu, Yong ZhangEstablishing a method to reveal the distribution and retention of benzo[a]pyrene at the root epidermis microstructure of Kandelia obovata.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Influence of tritium exposure route on vegetation types at the Savannah River Site By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, 26,1736-1747DOI: 10.1039/D4EM00311J, PaperMartine C. Duff, Elizabeth A. Pettitt, Holly VerMeulenThis study shows a relationship between total T content and the OBT:HTO in plants. These results give information on environmental management options if an aqueous or atmospheric T release event from a fusion reactor occurs and reaches a water body.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Storms mobilize organophosphate esters, bisphenols, PFASs, and vehicle-derived contaminants to San Francisco Bay watersheds By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, 26,1760-1779DOI: 10.1039/D4EM00117F, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Katherine T. Peter, Alicia Gilbreath, Melissa Gonzalez, Zhenyu Tian, Adam Wong, Don Yee, Ezra L. Miller, Pedro M. Avellaneda, Da Chen, Andrew Patterson, Nicole Fitzgerald, Christopher P. Higgins, Edward P. Kolodziej, Rebecca SuttonWe evaluated the occurrence of 154 organic contaminants from multiple chemical/use classes in San Francisco Bay watersheds during storm events, revealing complex mixtures and high concentrations transported to receiving waters.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Assessment of occurrence, source appointment, and ecological risks of pharmaceuticals and personal care products in the water–sediment interface of Qiantang River in the Hangzhou region By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, 26,1887-1897DOI: 10.1039/D4EM00355A, PaperYang Wan, Ziming Wang, Kaiping Xu, Wei Wang, Pengcheng Yao, Aiju YouTCS exhibited the highest concentration across different phases and seasons in QTR, and TCS posed high risks in surface water and low risks in sediment across all sampling sites.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
nc Pollution characteristics and risk assessment of endocrine-disrupting chemicals in surface water of national (freshwater) aquatic germplasm resource reserves in Guangdong Province By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, 26,1898-1911DOI: 10.1039/D4EM00425F, PaperTao Zhou, Jie Li, Weizhen Zhang, Yanyi Zeng, Yuan Gao, Haiyan Li, Wanling Yang, Yongzhan Mai, Qianfu Liu, Caiqin Hu, Chao WangEE2, 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 Full Article
nc Assessment of extracellular polymeric substances production and antioxidant defences in periphytic communities exposed to effluent contaminants By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, Advance ArticleDOI: 10.1039/D4EM00446A, PaperCarlos Silva, Etelvina Figueira, Diana Matos, Carina Sá, Tânia Vidal, Fernando José Mendes Gonçalves, Nelson Abrantes, Joana Luísa PereiraPeriphyton 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 Full Article
nc Longevity of size-dependent particle removal performance of do-it-yourself box fan air filters By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, Advance ArticleDOI: 10.1039/D4EM00406J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Theresa Pistochini, Graham Jaeger, Christopher D. Cappa, Richard L. CorsiFiltration performance of do-it-yourself (DIY) box fan air filters deployed across a university campus was assessed over an academic year.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
nc Degradation of norfloxacin by the synergistic effect of micro–nano bubbles and sodium hypochlorite: kinetics, influencing factors and pathways By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, Advance ArticleDOI: 10.1039/D4EM00490F, PaperGuijuan Li, Yan Cheng, Mengyao Jing, Dan Zhang, Yufei Ma, Shengke YangThe degradation reaction process and influencing factors of norfloxacin in the sodium hypochlorite and micro–nano bubble composite system.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
nc How do ecosystem service functions affect ecological health? Evidence from the Yangtze River Economic Belt in China By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, Advance ArticleDOI: 10.1039/D4EM00296B, PaperWei Wang, Jun Yang, Guishan Yang, Chao Wu, Jie YuEcosystem services serve as a bridge between social and economic impacts and ecological health.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
nc Leachability of per- and poly-fluoroalkyl substances from contaminated concrete By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, Advance ArticleDOI: 10.1039/D4EM00482E, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Prashant Srivastava, Grant Douglas, Greg B. Davis, Rai S. Kookana, Canh Tien Trinh Nguyen, Mike Williams, Karl Bowles, Jason K. KirbyThis study examines PFAS leaching behavior from concrete contaminated by the historical use of aqueous film-forming foams at an Australian Defence site, highlighting the long-term environmental implications of contaminated infrastructure.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
nc Domestic groundwater wells in Appalachia show evidence of low-dose, complex mixtures of legacy pollutants By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, Advance ArticleDOI: 10.1039/D4EM00364K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Nicolette A. Bugher, Boya Xiong, Runako I. Gentles, Lukas D. Glist, Helen G. Siegel, Nicholaus P. Johnson, Cassandra J. Clark, Nicole C. Deziel, James E. Saiers, Desiree L. PlataPrivate groundwater wells in communities co-located with historically contaminated sites and ongoing industrial activity contain complex mixtures of low-dose organic chemicals.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
nc Exposure to per- and polyfluoroalkyl substances (PFAS) in North Carolina homes: results from the indoor PFAS assessment (IPA) campaign By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, Advance ArticleDOI: 10.1039/D4EM00525B, PaperNaomi Y. Chang, Clara M. A. Eichler, Elaine A. Cohen Hubal, Jason D. Surratt, Glenn C. Morrison, Barbara J. TurpinPer and polyfluoroalkyl substances (PFAS) are ubiquitous in the indoor environment, resulting in indoor exposure. Inhalation and ingestion dominate.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
nc Mobile monitoring reveals the importance of non-vehicular particulate matter sources in London By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, Advance ArticleDOI: 10.1039/D4EM00552J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Samuel Wilson, Naomi J. Farren, Shona E. Wilde, Rebecca L. Wagner, James D. Lee, Lauren E. Padilla, Greg Slater, Daniel Peters, David. C. CarslawA novel application of mobile monitoring to investigate the spatial distribution of vehicular and non-vehicular urban particulate matter sources in London, UK.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