con

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.
The content of this RSS Feed (c) The Royal Society of Chemistry




con

Rapidly convergent quantum Monte Carlo using a Chebyshev projector

Faraday Discuss., 2024, 254,429-450
DOI: 10.1039/D4FD00035H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Zijun Zhao, Maria-Andreea Filip, Alex J. W. Thom
We present a series of algorithmic changes that can be used to accelerate the MR-CCMC algorithm in particular and QMC algorithms in general.
The content of this RSS Feed (c) The Royal Society of Chemistry




con

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




con

Concluding remarks

Faraday Discuss., 2024, 254,708-717
DOI: 10.1039/D4FD00152D, Paper
Open Access
Francesco A. Evangelista
A 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








con

DNA TV Show: Congress not to contest UP by-polls, lends 'unconditionally' support to SP

Samajwadi Party has announced its candidates for all nine seats for the November 13 Uttar Pradesh Assembly bypolls.




con

DNA TV Show: Congress' fresh allegations against SEBI chief Madhabi Puri Buch

Congress hit out at the NDA government at the Centre, claiming that it was 'protecting' the Sebi chief.




con

DNA TV Show: How did Donald Trump win US elections despite his several controversies?

This is the first time in the history of the US since 1892 that someone has won the election again after a gap of four years.




con

IND vs AUS: Gautam Gambhir confirms Jasprit Bumrah as India captain if Rohit Sharma misses Perth Test

The opening match is scheduled to begin on November 22 in Perth.




con

Maharashtra polls: Congress suspends seven more rebel candidates

The newly suspended leaders include -- Shamkant Saner, Rajendra Thakur, Aba Bagul, Manish Anand, Suresh Kumar Jethliya, Kalyan Borade, and Chandrapaul Chauksey.




con

Delhi continues to choke amid rising air pollution, AQI breaches 350...

At least a dozen stations recorded an Air Quality Index (AQI) of over 350, falling in the 'very poor' air category.




con

Maharashtra Assembly Elections 2024: Nitin Gadkari makes big statement, says 'Congress distorted Constitution but...'

Union Minister Nitin Gadkari slammed the Congress for claiming the BJP will change the country's Constitution. The Maharashtra assembly polls will be held on November 20 and votes will be counted on November 23.




con

Donald Trump's second term worries Elon Musk's transgender daughter, says....

Wilson on Thursday announced her plans to leave America after Donald Trump reclaimed the US presidency. She said that she doesn't see a future in the country.




con

'Echo dark moments in history': US President Biden condemns 'antisemitic' attacks on Israeli soccer fans in Amsterdam

Joe Biden's statement comes a day after Israeli soccer fans were assaulted by young people in hit-and-run scooter attacks. Dutch authorities said the incident was likely a result of calls on social media to attack Jewish people.




con

Donald Trump marks second term victory with formation of inaugural committee for 2025

President-elect Donald Trump announced the formation of his inaugural committee which will organize and celebrate his inauguration on January 20, 2025. This follows Trump's victory in the 2024 US presidential election, securing his second term in the White House after a comeback from his loss to President Joe Biden in 2020.




con

Mumbai Coastal Road: No more free travel on Bandra-Worli sea link connector, have to pay Rs...

This is the third opening of the 10.5 km long coastal road project within a period of three months




con

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.




con

Delhi-NCR update: No relief from pollution as AQI continues to remain 'very poor'

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.




con

Impact of particle size separation on the stabilisation efficiency of heavy-metal-contaminated soil: a meta-analysis

Environ. Sci.: Processes Impacts, 2024, 26,1821-1835
DOI: 10.1039/D4EM00308J, Paper
Lixia Sun, Yunlong Zhang, Bo Wu, Enzhu Hu, Linlin Li, Longlong Qu, Shuqi Li
The 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




con

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




con

Storms mobilize organophosphate esters, bisphenols, PFASs, and vehicle-derived contaminants to San Francisco Bay watersheds

Environ. Sci.: Processes Impacts, 2024, 26,1760-1779
DOI: 10.1039/D4EM00117F, Paper
Open Access
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 Sutton
We 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




con

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




con

The gas phase ozonolysis and secondary OH production of cashmeran, a musk compound from fragrant volatile chemical products

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00452C, Paper
Ayomide A. Akande, Nadine Borduas-Dedekind
We quantified the lifetime of cashmeran, a musk compound, against 20 ppbv of O3 to be 85 days. In the presence of O2, cashmeran may influence the oxidative capacity indoors via production of secondary OH radicals (up to 5.1 × 105 molec cm−3).
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




con

How do ecosystem service functions affect ecological health? Evidence from the Yangtze River Economic Belt in China

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00296B, Paper
Wei Wang, Jun Yang, Guishan Yang, Chao Wu, Jie Yu
Ecosystem 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




con

A methodology for estimating indoor sources contribution to PM2.5

Environ. Sci.: Processes Impacts, 2024, Accepted Manuscript
DOI: 10.1039/D4EM00538D, Paper
Open Access
Shiva Nourani, Ana María Villalobos, Hector Jorquera
Quantifying source contributions to indoor PM2.5 brought by indoor PM2.5 sources has been limited by the costs associated to chemical speciation analyses of indoor PM2.5 samples. Here we propose a...
The content of this RSS Feed (c) The Royal Society of Chemistry




con

Leachability of per- and poly-fluoroalkyl substances from contaminated concrete

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00482E, Paper
Open Access
Prashant Srivastava, Grant Douglas, Greg B. Davis, Rai S. Kookana, Canh Tien Trinh Nguyen, Mike Williams, Karl Bowles, Jason K. Kirby
This 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




con

A world without Jews : the Nazi imagination from persecution to genocide [Electronic book] / Alon Confino.

New Haven, Connecticut : Yale University Press, 2014.




con

The world of consumption : the material and cultural revisited [Electronic book] / Ben Fine.

London ; New York : Routledge, 2002.




con

Witchcraft continued [Electronic book] / ed. by Willem De Blecourt, Owen Davies.

Manchester : Manchester University Press, [2018]




con

Vaccinating Britain : Mass vaccination and the public since the Second World War [Electronic book] / Gareth Millward.

Manchester : Manchester University Press, [2019]




con

The United States Congress [Electronic book] / Ross English.

Manchester : Manchester University Press, [2010]




con

Understanding British and European political issues : Second edition [Electronic book] / Krystyna McNaughton.

Manchester : Manchester University Press, [2018]




con

Turkey: facing a new millennium : Coping with intertwined conflicts [Electronic book] / Amikam Nachmani.

Manchester : Manchester University Press, [2018]




con

Translocal Care across Kosovo's Borders : Reconfiguring Kinship along Gender and Generational Lines [Electronic book] / Carolin Leutloff-Grandits.

New York; Oxford : Berghahn Books, [2023]




con

Thucydides on strategy [Electronic book] : grand strategies in the Pelopennesian War and their relevance today / Athanassios G. Platias, Constantinos Koliopoulos.

Oxford : Oxford University Press, [2017]




con

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

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




con

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

Berlin ; Boston : De Gruyter, [2023]




con

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]




con

Scottish cinema : texts and contexts [Electronic book] / Christopher Meir.

Manchester : Manchester University Press, 2015.




con

Saint Paul and Contemporary European Philosophy : The Outcast and the Spirit [Electronic book] / Gert-Jan van der Heiden.

Edinburgh : Edinburgh University Press, [2023]




con

Rural economy and tribal society in islamic Egypt : a study of Al-Nābulusī's villages of the Fayyum [Electronic book] / by Yossef Rapoport.

Turnhout, Belgium : Brepols Publishers, [2018]




con

Routledge handbook of constitutional law [Electronic book] / edited by Mark Tushnet, Thomas Fleiner and Cheryl Saunders.

Abingdon, Oxon ; New York, NY : Routledge, 2013.




con

The Routledge companion to the cultural industries [Electronic book] / edited by Kate Oakley and Justin O'Connor ; contributors, Mark Banks [and forty eight others].

London ; New York : Routledge, 2015.




con

Ritual and recovery in post-conflict Sri Lanka [Electronic book] / Jane Derges.

London ; New York : Routledge, [2013]




con

Rethinking Athens before the Persian wars : proceedings of the international workshop at the Ludwig-Maximilians-Universitat München (Munich, 23rd-24th February 2017) [Electronic book] / Constanze Graml, Annarita Doronzio, Vincenzo Capozzoli (Hrsg.).

München, Germany : Utzverlag, 2020.




con

Representing reality : issues and concepts in documentary [Electronic book] / Bill Nichols.

Bloomington : Indiana University Press, 1991.




con

Relational pedagogies: connections and mattering in higher education [Electronic book]/ Karen Gravett.

London: Bloomsbury Academic. 2022