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




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Striking the right balance of encoding electron correlation in the Hamiltonian and the wavefunction ansatz

Faraday Discuss., 2024, 254,359-381
DOI: 10.1039/D4FD00060A, Paper
Open Access
Kalman Szenes, Maximilian Mörchen, Paul Fischill, Markus Reiher
We 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




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




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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: Why thousands of aspirants protested against UPPSC in Prayagraj

For the first time, the UPPSC has scheduled UP PCS and RO/ARO examinations in two days.




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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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IPL 2025: CSK CEO breaks silence on rumours linking Rishabh Pant with Chennai Super Kings, says 'We discussed...'

Viswanathan said we had discussions with Ruturaj Gaikwad, MS Dhoni, and coach Stephen Fleming




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IND vs SA: Varun Chakravarthy takes 5-wicket-haul but enters THIS unwanted record in 2nd T20I

South Africa on Sunday secured a three-wicket win against India in the second T20I to level the series 1-1.




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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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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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Justice Sanjiv Khanna takes oath as 51st Chief Justice of India

The outgoing CJI, Dhananjay Yashwant Chandrachud, retired on Sunday, making way for Justice Khanna, who will serve a six-month tenure as the Chief Justice.




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'Saints have in every age, helped humanity...': PM Modi at 200th anniversary of Shree Swaminarayan Mandir

The Prime Minister also asserted that this event is not just a praise of history. It is a great opportunity for every person like him, who has grown up with unflinching faith in Vadtal Dham.




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Berjis Desai's crime thriller "Murder at the Racecourse" keeps you on the edge

Desai, a former journalist, is also a former racing steward and thoroughbred horse breeder, draws from his deep knowledge of the racing world and brings his signature storytelling style to craft a tale that combines authenticity with a Hitchcockian level of suspense.




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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.




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US President-elect Donald Trump appoints Susan Wiles as White House chief of staff, first woman to hold position

Wiles was the campaign manager for Trump's highly successful 2024 Campaign for President.




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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.




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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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Canada ends fast-track visas for foreign students, know how will it affect Indians

The scheme was introduced to simplify the visa application process for students from 14 countries, which included India.




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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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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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What Elon Musk-owned Starlink requires to get licence for services in India? Union Minister Jyotiraditya Scindia says..

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.





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India's highest paid actor charges Rs 300 crore for a film; more than Vijay, Shah Rukh, Prabhas, Rajini, Ranbir, Salman

Allu Arjun has become India's highest paid actor with the whopping fees of Rs 300 crore for Pushpa 2: The Rule.




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Vikrant Massey admits he was 'DISAPPOINTED' with Mirzapur for this reason: 'I don't think I was given...'

Vikrant Massey admitted that he was disappointed with the death of his character Bablu Pandit in Mirzapur. He also recalled saying yes to the show due to a miscommunication.




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'Sometimes I wish I was more tough, more thick-skinned,' says Aishwarya Rai in viral video

Bollywood actor Aishwarya Rai has recently been in news for her rumoured separation with husband and actor Abhishek Bachchan.




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'If you don't fight...': When Salman Khan admitted he created ruckus outside Aishwarya Rai's home, cops told him to..

One of the darkest chapters in Aishwarya Rai and Salman Khan's relationship came in November 2001 when Salman Khan reached Aishwarya's apartment in a fit of fury. Many eyewitnesses claimed that he kept banging on her apartment door for hours.




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Bigg Boss 18: Karan Veer Mehra gets jealous, proposes to Chum Darang indirectly, actress says 'yeh sunke hum...'

Did Karan Veer Mehra confess his feelings to Chum Darang? Here's how the actress reacted.




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Manu Bhaker attends her alma mater's award ceremony in Delhi University, says 'people think girls from LSR are...'

Olympians Manu Bhaker, Maheshwari Chauhan, and Rhythm Sangwan, all former students of the prestigious Lady Shri Ram College, Delhi University were recently honoured by the college.




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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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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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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




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




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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




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Mobility of biochar-derived dissolved organic matter and its effects on sulfamerazine transport through saturated soil porous media

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00143E, Paper
Mengya Liu, Xiaochen Liu, Yalu Hu, Qiang Zhang, Usman Farooq, Zhichong Qi, Laotao Lu
Dissolved organic matter (DOM) released from biochar may impact antibiotic mobility and environmental fate in subsurface environments.
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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Worlding the south : Nineteenth-century literary culture and the southern settler colonies [Electronic book] / ed. by Sarah Comyn, Porscha Fermanis.

Manchester : Manchester University Press, [2021]




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Wondrously wounded : theology, disability, and the body of Christ [Electronic book] / Brian Brock.

Waco, Texas : Baylor University Press, [2019]




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Watching, Waiting : The Photographic Representation of Empty Places [Electronic book] / Sandra Križić Roban, Ana Šverko.

[s.l.] : Universitaire Pers Leuven, 2023.




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Wanderungen eines Ortes : Das Gelände der alten Messe ("Staro Sajmište"), Belgrad [Electronic book] / Magdalena Saiger.

München ; Wien : De Gruyter Oldenbourg, [2023]




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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.




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Violence against women's health in international law [Electronic book] / Sara De Vido.

Manchester : Manchester University Press, [2020]




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Verordnete Arbeit - Gelenkte Freizeit : Muße in der Sowjetkultur [Electronic book] / Elisabeth Cheauré, Jochen Gimmel.

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




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Verfassungsordnung und Verwaltungsorganisation [Electronic book] / David Roth-Isigkeit.

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




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Varieties of environmentalism : essays North and South [Electronic book] / Ramachandra Guha and J. Martinez-Alier.

London : Earthscan Publications, 2006.




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Vanishing Sands : Losing Beaches to Mining [Electronic book] / Orrin H. Pilkey, Norma J. Longo, William J. Neal.

[s.l.] : Duke University Press, 2023.




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Vanishing Sands : Losing Beaches to Mining [Electronic book] / Orrin H. Pilkey, Norma J. Longo, William J. Neal, Nelson G. Rangel-Buitrago, Keith C. Pilkey, and Hannah L. Hayes.

Durham : Duke University Press, 2022.




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Using Commonplace Books to Enrich Medieval and Renaissance Courses [Electronic book] / ed. by Sarah E. Parker, Andie Silva.

Leeds : ARC Humanities Press, [2023]




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Urban transformations and public health in the emergent city [Electronic book] / ed. by Michael Keith, Andreza Aruska de Souza Santos.

Manchester : Manchester University Press, [2020]




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Unternehmenshaftung : Dogmatische Rekonstruktion der deliktischen Schadensersatzhaftung von Unternehmensträgern [Electronic book] / Carsten König.

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