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Speciation and dipole reorientation dynamics of glass-forming liquid electrolytes: Li[N(SO2CF3)2] mixtures of 1,3-propane sultone or tetrahydrothiophene-1,1-dioxide

Faraday Discuss., 2024, 253,42-54
DOI: 10.1039/D4FD00050A, Paper
Yasuhiro Umebayashi, Erika Otani, Hikari Watanabe, Jihae Han
Li[(CF3SO2)2N] mixtures with propane sultone or sulfolane, newly termed as glass-forming liquid electrolytes, exhibited large-size aggregate (AGG) formation via speciation and dipole reorientation. The AGGs may be crucial for the unique Li+ conduction.
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New directions in experiment and theory, interfaces, and interactions: general discussion

Faraday Discuss., 2024, 253,493-509
DOI: 10.1039/D4FD90037E, Discussion
Rob Atkin, Duncan W. Bruce, Robert A. W. Dryfe, Emmanuelle Dubois, Karen J. Edler, Christopher E. Elgar, Andrew Feeney, Kateryna Goloviznina, Timothy S. Groves, Benworth Hansen, John D. Holbrey, Christian Holm, Alexei Kornyshev, Claudio J. Margulis, Daniel M. Markiewitz, Richard P. Matthews, Joshua Maurer, Shurui Miao, Frederik Philippi, Elixabete Rezabal, Bernhard Roling, Benjamin Rotenberg, Joshua Sangoro, Monika Schönhoff, John M. Slattery, Małgorzata Swadźba-Kwaśny, Neave Taylor, Masayoshi Watanabe, Jake Yang
The content of this RSS Feed (c) The Royal Society of Chemistry




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Gaussian processes for finite size extrapolation of many-body simulations

Faraday Discuss., 2024, 254,500-528
DOI: 10.1039/D4FD00051J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Edgar Josué Landinez Borda, Kenneth O. Berard, Annette Lopez, Brenda Rubenstein
We employ Gaussian processes to more accurately and efficiently extrapolate many-body simulations to their thermodynamic limit.
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Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method

Faraday Discuss., 2024, 254,315-331
DOI: 10.1039/D4FD00033A, Paper
Diata Traore, Julien Toulouse, Emmanuel Giner
We 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)].
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Classification and quantitative characterisation of the excited states of π-conjugated diradicals

Faraday Discuss., 2024, 254,107-129
DOI: 10.1039/D4FD00055B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lujo Matasović, Hugo Bronstein, Richard H. Friend, Felix Plasser
A detailed classification scheme for the excited states of diradicals is presented highlighting the connections between the states of closed-shell and open-shell molecules.
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Multi-reference coupled cluster theory using the normal ordered exponential ansatz

Faraday Discuss., 2024, 254,170-190
DOI: 10.1039/D4FD00044G, Paper
Alexander D. Gunasekera, Nicholas Lee, David P. Tew
We 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.
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Stochastic and low-scaling techniques/extended systems: general discussion

Faraday Discuss., 2024, 254,570-585
DOI: 10.1039/D4FD90043J, Discussion
Ali Alavi, Kemal Atalar, Timothy C. Berkelbach, George H. Booth, Ji Chen, Don Danilov, Werner Dobrautz, Francesco A. Evangelista, Gaurav Harsha, Venkat Kapil, Ke Liao, Pierre-François Loos, Krishna Reddy Nandipati, Felix Plasser, Andrew W. Prentice, Markus Reiher, Brenda Rubenstein, Benjamin Xu Shi, Alex J. W. Thom, Zikuan Wang, Carlos Mejuto-Zaera, Dominika Zgid, Martijn A. Zwijnenburg
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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Need for a nuanced approach and realistic expectations from BRICS+

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).




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KL Rahul breaks silence on LSG exit in IPL, says, 'I wanted to go...'

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.




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Pakistan: 20 killed, 46 injured in explosion at Quetta railway station in Balochistan

At least 20 people were killed, and 46 others were injured after an explosion occurred at the Quetta Railway Station in Pakistan's Balochistan on Saturday, i.e., November 9.




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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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Won't have sex: US women vow to say no to sex and marriage as part of 4B protest, know what it is and why

American women are joining the 4B movement to protest rejecting sex, relationships, and childbirth as a form of resistance against...




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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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Meet woman, who left Ratan Tata's company, cracked ISRO, BARC, MPPSC and UPSC exams, now an IAS officer, she is...

Surabhi Gautam's success story is a testament to her relentless pursuit of excellence and the power of self-belief, showing that even the biggest obstacles can be overcome with perseverance and dedication.




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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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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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Yash's Toxic in trouble? FIR filed against producers of KGF star's upcoming actioner for illegal...

Yash's upcoming film Toxic has landed in trouble over the alleged axing of trees on forest land in Bengaluru. Read on to know more details about the same.




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Delhi-NCR weather update: IMD predicts light rain for next four days, minimum temperature to be...

Following intermittent rains, Delhi-NCR has been witnessing heat and humidity for the past few days.




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Delhi-NCR weather report: National capital to witness clear skies on first day of Navratri, know IMD updates for next...

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.




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Weather update: Delhi-NCR wakes up to rainy morning, IMD warns of extremely heavy rains in...

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.




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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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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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Influence of tritium exposure route on vegetation types at the Savannah River Site

Environ. Sci.: Processes Impacts, 2024, 26,1736-1747
DOI: 10.1039/D4EM00311J, Paper
Martine C. Duff, Elizabeth A. Pettitt, Holly VerMeulen
This 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.
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Exploring the variability of PFAS in urban sewage: a comparison of emissions in commercial versus municipal urban areas

Environ. Sci.: Processes Impacts, 2024, 26,1868-1878
DOI: 10.1039/D4EM00415A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Krlovic N., Saracevic E., Derx J., Gundacker C., Krampe J., Kreuzinger N., Zessner M., Zoboli O.
PFAS in an urban environment can come from various sources. The main activity in the area, i.e. commercial versus municipal, can influence the overall loads and speciation of PFAS in the examined wastewater.
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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.
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Assessment of the cytotoxicity micro- and nano-plastic on human intestinal Caco-2 cells and the protective effects of catechin

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00408F, Paper
Xiaoxia Wang, Zhongneng Yang, Xiao-Min Ren, Zhenghuan Zhang, Huan He, Xuejun Pan
This study found that PS-M/NPs have a size-dependent cytotoxic effect on the human intestinal epithelial cell line Caco-2, mediated by the production of reactive oxygen species. Additionally, catechins were shown to mitigate these adverse effects.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Experimental and theoretical investigation of benzothiazole oxidation by OH in air and the role of O2

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00461B, Paper
Natalia V. Karimova, Weihong Wang, R. Benny Gerber, Barbara J. Finlayson-Pitts
Products of the oxidation of BTH by OH in air.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Longevity of size-dependent particle removal performance of do-it-yourself box fan air filters

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 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. Corsi
Filtration 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.
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Degradation of norfloxacin by the synergistic effect of micro–nano bubbles and sodium hypochlorite: kinetics, influencing factors and pathways

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00490F, Paper
Guijuan Li, Yan Cheng, Mengyao Jing, Dan Zhang, Yufei Ma, Shengke Yang
The 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.
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Polyethylene microplastics affect behavioural, oxidative stress, and molecular responses in the Drosophila model

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00537F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Himanshu Ranjan, Swetha Senthil Kumar, Sharine Priscilla, Subhashini Swaminathan, Masakazu Umezawa, Sahabudeen Sheik Mohideen
The study highlights the negative effects of PE MPs on motor functions, oxidative stress, and cellular stress responses in Drosophila, emphasizing the broader ecological risks associated with microplastic pollution.
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Validation of a laboratory spray generation system and its use in a comparative study of hexamethylene diisocyanate (HDI) evaluation methods

Environ. Sci.: Processes Impacts, 2024, Accepted Manuscript
DOI: 10.1039/D4EM00513A, Paper
Hugues Ahientio, Loïc Wingert, Sébastien Gagné, Jacques Lesage, Livain Breau, Simon Aubin
Isocyanates are well-known irritants and sensitizers, and measuring their occupational airborne exposure is challenging due to their high chemical reactivity and semi-volatile nature. This study builds on a previous publication...
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Domestic groundwater wells in Appalachia show evidence of low-dose, complex mixtures of legacy pollutants

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00364K, Paper
Open Access
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. Plata
Private groundwater wells in communities co-located with historically contaminated sites and ongoing industrial activity contain complex mixtures of low-dose organic chemicals.
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Exposure to per- and polyfluoroalkyl substances (PFAS) in North Carolina homes: results from the indoor PFAS assessment (IPA) campaign

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00525B, Paper
Naomi Y. Chang, Clara M. A. Eichler, Elaine A. Cohen Hubal, Jason D. Surratt, Glenn C. Morrison, Barbara J. Turpin
Per 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.
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Combining sequential extractions with bulk and micro X-ray spectroscopy to elucidate iron and phosphorus speciation in sediments of an iron-treated peat lake

Environ. Sci.: Processes Impacts, 2024, Accepted Manuscript
DOI: 10.1039/D4EM00402G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Melanie Münch, Andreas Voegelin, Luis Carlos Colocho Hurtarte, Jörg Goettlicher, T. Behrends
In shallow lakes, mobilization of legacy phosphorus (P) from the sediments can be the main cause for persisting eutrophication after reduction of external P input. In-lake remediation measures can be...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Women's medicine : Sex, family planning and British female doctors in transnational perspective, 1920-70 [Electronic book] / Caroline Rusterholz.

Manchester : Manchester University Press, [2020]




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Von den Medien zu den Plattformen : Die Regulierung öffentlicher Kommunikation im Zeichen der digitalen Revolution [Electronic book] / Urs Saxer.

[s.l.] : Mohr Siebeck GmbH & Co. KG, 2023.




x

Verhandelte Führung : eine Analyse von Num 16-17 im Kontext der neueren Pentateuchforschung [Electronic book] / Katharina Pyschny.

Freiburg : Herder Verlag, 2017.




x

Toxic truths : Environmental justice and citizen science in a post-truth age [Electronic book] / ed. by Thom Davies, Alice Mah.

Manchester : Manchester University Press, [2020]




x

Time for mapping : Cartographic temporalities [Electronic book] / ed. by Sybille Lammes, Chris Perkins, Daniel Evans, Sam Hind, Clancy Wilmott, Alex Gekker.

Manchester : Manchester University Press, [2018]




x

The Museum as Experience : Learning, Connection, and Shared Space

[S.l.] : ARC HUMANITIES PR, 2023.




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La Table des rois : Contribution à l'histoire textuelle des ›Tables faciles‹ de Ptolémée [Electronic book] / Olivier Defaux.

Berlin ; Boston : De Gruyter, [2023]




x

Stabilization and human security in UN peace operations [Electronic book] / Alexander Gilder.

London : Routledge, 2022.




x

The spoken word : Oral culture in Britain, 1500-1850 [Electronic book] / ed. by Adam Fox, Daniel Woolf.

Manchester : Manchester University Press, [2018]




x

Spiritual friendship [Electronic book] / Aelred of Rievaulx ; translated by Lawrence C. Braceland, SJ ; edited and introduction Marsha L. Dutton.

Collegeville, Minnesota : Liturgical Press, [2010]




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Social memory in Ex 16 and the identity of exilic/post-exilic Israel [Electronic book] / Ogochukwu Daniel Onuorah.

Tübingen : Mohr Siebeck, [2023]




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Social, health, and economic impacts of the COVID-19 pandemic and the epidemiological control measures : First results from SHARE Corona Waves 1 and 2 [Electronic book] / ed. by Axel Börsch-Supan, Anita Abramowska-Kmon, Karen Andersen-Ranberg, Agar B

Berlin ; Boston : De Gruyter, [2023]