cl Concluding remarks: Dense ionic fluids: because sometimes, more is more By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,510-523DOI: 10.1039/D4FD00150H, PaperRob AtkinA DIF is a electrolyte where the ion–ion distance is smaller than the Bjerrum length, causing strong electrostatic coupling in correlated domains. Ionic domains may be interspersed with non-polar or immiscible regions.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl TBC - Concluding remarks By pubs.rsc.org Published On :: Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039/D4FD00174E, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Andrew CooperTBCThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Adsorption and vibrational spectroscopy of CO on the surface of MgO from periodic local coupled-cluster theory By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,628-640DOI: 10.1039/D4FD00041B, Paper Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Hong-Zhou Ye, Timothy C. BerkelbachLocal correlation allows accurate periodic CCSD(T) calculations to be efficiently performed for molecules on realistic surfaces with large basis sets, yielding accurate adsorption energies and vibrational frequencies.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl 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
cl Classification and quantitative characterisation of the excited states of π-conjugated diradicals By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,107-129DOI: 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 PlasserA 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 Full Article
cl Spiers Memorial Lecture: Quantum chemistry, classical heuristics, and quantum advantage By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,11-52DOI: 10.1039/D4FD00141A, Paper Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Garnet Kin-Lic ChanWe describe the problems of quantum chemistry, the intuition behind classical heuristic methods used to solve them, a conjectured form of the classical complexity of quantum chemistry problems, and the subsequent opportunities for quantum advantage.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl CO adsorption on Pt(111) studied by periodic coupled cluster theory By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,586-597DOI: 10.1039/D4FD00085D, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Johanna P. Carbone, Andreas Irmler, Alejandro Gallo, Tobias Schäfer, William Z. Van Benschoten, James J. Shepherd, Andreas GrüneisApplication of periodic coupled-cluster theory for CO adsorption energies on the Pt(111) surface. The adsorption energy at the top site is mainly electrostatic, while at the fcc site it is correlation-based. This difference might account for the challenges DFT faces with the CO puzzle.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl 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
cl 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
cl 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
cl Champions Trophy: PCB to seek clarity from ICC after BCCI refuses to send Indian team to Pakistan By www.dnaindia.com Published On :: Mon, 11 Nov 2024 15:15:00 GMT 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. Full Article Sports Cricket
cl Vadodara IOCL refinery fire: Death toll rises to 2; probe underway By www.dnaindia.com Published On :: Tue, 12 Nov 2024 05:37:00 GMT Two persons -- Dhimant Makwana and Shailesh Makwana -- died in the fire. An IOCL official received injuries and was undergoing treatment at a private hospital, Jawahar Nagar police station inspector AB Mori said. Full Article India
cl Collaborative global response a must to combat climate change effectively: Dr Sanju Purohit By www.dnaindia.com Published On :: Fri, 08 Nov 2024 05:51:00 GMT 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: Full Article World
cl Guru Purab Bank Holiday November 15: Are banks open or closed on Guru Nanak Jayanti? By www.dnaindia.com Published On :: Mon, 11 Nov 2024 03:41:00 GMT For the most accurate information regarding specific bank operations in your area, it is advisable to check with your local bank or refer to the RBI holiday calendar. Full Article Business
cl Meet software engineer who left Deloitte job to pursue fashion, owns Rs 200 crore-worth clothing brand, she is... By www.dnaindia.com Published On :: Tue, 12 Nov 2024 06:01:00 GMT Nidhi launched Aks Clothing in 2014, with an initial investment of Rs 3.5 lakh. Her company's revenue has reached Rs 200 crore by 2021. Full Article Business
cl Man claims he received 0.5 gm gold coin instead of 1 gm from Blinkit on Dhanteras, know what happened next By www.dnaindia.com Published On :: Wed, 30 Oct 2024 04:45:00 GMT 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. Full Article Bangalore Big Picture Viral
cl 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
cl 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
cl 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
cl A 150 years record of polycyclic aromatic compounds in the Sihailongwan Maar Lake, Northeast China: impacts of socio-economic developments and pollution control By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, 26,1748-1759DOI: 10.1039/D4EM00309H, PaperJianing Zhang, Chong Wei, Yongming Han, Benjamin A. Musa Bandowe, Dewen Lei, Wolfgang WilckeThe 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 Full Article
cl 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
cl 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
cl Quantitative read-across structure–property relationship (q-RASPR): a novel approach to estimate the bioaccumulative potential for diverse classes of industrial chemicals in aquatic organisms By pubs.rsc.org Published On :: Environ. Sci.: Processes Impacts, 2024, Advance ArticleDOI: 10.1039/D4EM00374H, PaperProdipta Bhattacharyya, Pabitra Samanta, Ankur Kumar, Shubha Das, Probir Kumar OjhaThe Bioconcentration Factor (BCF) is used to evaluate the bioaccumulation potential of chemical substances in reference organisms, and it directly correlates with ecotoxicity.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
cl Wreckage [Electronic book] / Tom Ratcliffe. By encore.st-andrews.ac.uk Published On :: London : Methuen Drama, 2022. Full Article
cl We Should Definitely Have More Dancing : Or the Amazing Adventures of the Woman with a Fist in Her Head [Electronic book] / Clara Darcy & Ian Kershaw. By encore.st-andrews.ac.uk Published On :: London : Methuen Drama, 2022. Full Article
cl We shall not be moved : how Liverpool's working class fought redundancies, closures and cuts in the age of Thatcher [Electronic book] / Brian Marren. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, 2016. Full Article
cl Understanding clinical papers [Electronic book] / David Bowers, Allan House, David Owens, Bridgette Bewick. By encore.st-andrews.ac.uk Published On :: Chichester : John Wiley & Sons Inc., 2013. Full Article
cl Tokens and Social Life in Roman Imperial Italy [Electronic book] / Clare Rowan. By encore.st-andrews.ac.uk Published On :: Cambridge : Cambridge University Press, 2023. Full Article
cl Time for mapping : Cartographic temporalities [Electronic book] / ed. by Sybille Lammes, Chris Perkins, Daniel Evans, Sam Hind, Clancy Wilmott, Alex Gekker. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, [2018] Full Article
cl Revolutionary spring : fighting for a new world 1848-1849 [Electronic book]/ Christopher Clark. By encore.st-andrews.ac.uk Published On :: London : Penguin Books, 2023. Full Article
cl Regional schools in Hellenistic sculpture : proceedings of an international conference held at the American School of Classical Studies at Athens, March 15-17, 1996 [Electronic book] / edited by Olga Palagia and William Coulson. By encore.st-andrews.ac.uk Published On :: Oxford ; Havertown, Pennsylvania : Oxbow Books, 2017. Full Article
cl Public Poetry : Lyrik im urbanen Raum [Electronic book] / Claudia Benthien, Norbert Gestring. By encore.st-andrews.ac.uk Published On :: Berlin ; Boston : De Gruyter, [2023] Full Article
cl Prismatic Jane Eyre [Electronic book] : close-reading a world novel across languages / Matthew Reynolds with Andrés Claro, Annmarie Drury, Mary Frank, Paola Gaudio, Rebecca Ruth Gould, Jernej Habjan, Yunte Huang, Abhishek Jain, Eugenia Kelbert, Ulric By encore.st-andrews.ac.uk Published On :: Cambridge : Open Book Publishers, [2023] Full Article
cl Pope Alexander III (1159-81) : the art of survival [Electronic book] / edited by Peter D. Clarke and Anne J. Duggan. By encore.st-andrews.ac.uk Published On :: Abingdon, Oxon ; New York, NY : Routledge, 2016. Full Article
cl The origins of the Syrian conflict : climate change and human security [Electronic book] / Marwa Daoudy. By encore.st-andrews.ac.uk Published On :: Cambridge : Cambridge University Press, 2020. Full Article
cl An Older and More Beautiful Belgrade : A Visual Chronicle of the Milošević Era [Electronic book] / Mileta Prodanović. By encore.st-andrews.ac.uk Published On :: Hungary : Central European University Press, 2023. Full Article
cl A new history of documentary film [Electronic book] / y Betsy A. McLane. By encore.st-andrews.ac.uk Published On :: New York ; London : Bloomsbury Publishing, 2013. Full Article
cl Moving Workers : Historical Perspectives on Labour, Coercion and Im/Mobilities [Electronic book] / ed. by Vilhelm Vilhelmsson, Claudia Bernardi, Viola Franziska Müller, Biljana Stojić. By encore.st-andrews.ac.uk Published On :: München ; Wien : De Gruyter Oldenbourg, [2023] Full Article
cl Modern Etruscans : Close Encounters with a Distant Past [Electronic book] / Chiara Zampieri, Martina Piperno. By encore.st-andrews.ac.uk Published On :: [s.l.] : Universitaire Pers Leuven, 2023. Full Article
cl Meteorological Disasters in Medieval Britain (AD 1000‒1500) : Archaeological, Historical and Climatological Perspectives within a Wider European Context [Electronic book] / Peter J. Brown. By encore.st-andrews.ac.uk Published On :: Berlin ; Boston : De Gruyter, [2023] Full Article
cl The metabolic museum [Electronic book] / Clémentine Deliss ; managing editor, Lena Kiessler. By encore.st-andrews.ac.uk Published On :: Berlin : Hatje Cantz Verlag GmbH, [2020] Full Article
cl Mediating dangerously [Electronic book] : the frontiers of conflict resolution / Kenneth Cloke. By encore.st-andrews.ac.uk Published On :: San Francisco : Jossey-Bass Publishers, [2001] Full Article
cl Managing diabetes, managing medicine : Chronic disease and clinical bureaucracy in post-war Britain [Electronic book] / Martin D. Moore. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, [2019] Full Article
cl Life above the clouds : philosophy in the films of Terrence Malick [Electronic book] / edited by DeLay Steven. By encore.st-andrews.ac.uk Published On :: Albany : State University of New York Press, 2023. Full Article
cl Latin epic and didactic poetry [Electronic book] : genre, tradition and individuality / edited by Monica Gale ; contributors, Ray Clare [and ten others]. By encore.st-andrews.ac.uk Published On :: Swansea, Wales : Classical Press of Wales, 2004. Full Article
cl Inclusion and exclusion in Mediterranean Christianities, 400-800 [Electronic book] / edited by Yaniv Fox and Erica Buchberger. By encore.st-andrews.ac.uk Published On :: Turnhout, Belgium : Brepols, [2019] Full Article
cl Iconoclasm in European Cinema : The Ethics and Aesthetics of Image Destruction [Electronic book] / Chiara Quaranta. By encore.st-andrews.ac.uk Published On :: Edinburgh : Edinburgh University Press, [2023] Full Article
cl Humanitarian intervention in the long nineteenth century : Setting the precedent [Electronic book] / Alexis Heraclides, Ada Dialla. By encore.st-andrews.ac.uk Published On :: Manchester : Manchester University Press, [2017] Full Article
cl Here [Electronic book] / Clive Judd. By encore.st-andrews.ac.uk Published On :: London : Nick Hern Books, 2022. Full Article
cl Die göttliche Weisheit des Hermes Trismegistos : Pseudo-Apuleius, Asclepius [Electronic book] / Dorothee Gall, Zlatko Plese. By encore.st-andrews.ac.uk Published On :: [s.l.] : Mohr Siebeck GmbH & Co. KG, 2023. Full Article
