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KC Mahindra Education Trust released the scholarship for Indian students in PG Programmes

KC Mahindra Education Trust Scholarship: The KC Mahindra Education Trust has announced its scholarship programme for postgraduate studies abroad. The KC Mahindra Scholarship programme aims to enable Indian students to pursue their higher education dreams. Candidates can register themselves by visiting




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Adsorption and vibrational spectroscopy of CO on the surface of MgO from periodic local coupled-cluster theory

Faraday Discuss., 2024, 254,628-640
DOI: 10.1039/D4FD00041B, Paper
Open Access
Hong-Zhou Ye, Timothy C. Berkelbach
Local 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.
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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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CO adsorption on Pt(111) studied by periodic coupled cluster theory

Faraday Discuss., 2024, 254,586-597
DOI: 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 Grüneis
Application 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.
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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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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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Sustainability Takes Center Stage in US Manufacturing with Leader Viralsinh Solanki at the Forefront

Viralsinh, a visionary software developer and manufacturing expert, has introduced state-of-the-art technologies such as the manufacturing execution system (MES).




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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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'Our relationship with India is much...': US Defense Secretary Lloyd Austin reflects on his 4-year tenure

Responding to a question, US Defense Secretary Lloyd Austin said the most important thing on voter's minds was the economy, and that's what people voted on.




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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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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

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00374H, Paper
Prodipta Bhattacharyya, Pabitra Samanta, Ankur Kumar, Shubha Das, Probir Kumar Ojha
The 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.
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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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Transcending the Nostalgic : Landscapes of Postindustrial Europe beyond Representation [Electronic book] / ed. by Juliane Tomann, George Jaramillo.

New York; Oxford : Berghahn Books, [2021]




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The Train Journey : Transit, Captivity, and Witnessing in the Holocaust [Electronic book] / Simone Gigliotti.

New York; Oxford : Berghahn Books, [2009]




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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]




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Theorising Justice : A Primer for Social Scientists [Electronic book] / ed. by Stephen Przybylinski, Johanna Ohlsson.

Bristol : Bristol University Press, [2023]




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Street theatre and the production of postindustrial space : Working memories [Electronic book] / David Calder.

Manchester : Manchester University Press, [2019]




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Social-Ecological Cooperative Housing : Gemeinschaftliches, transformatives Bauen und Wohnen [Electronic book] / hrsg. von id22: Institute for Creative Sustainability.

Berlin : JOVIS Verlag GmbH, [2022]




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Situating Scandinavian Poetry in the Computational Network Environment [Electronic book] / Hans Kristian Strandstuen Rustad.

Berlin ; Boston : De Gruyter, [2023]




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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.




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Robert Nozick : property, justice and the minimal state [Electronic book] / Jonathan Wolff.

Cambridge : Polity Press, 2013.




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Republican learning : John Toland and the crisis of Christian culture, 1696-1722 [Electronic book] / Justin Champion.

Manchester : Manchester University Press, [2018]




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Reckoning with Restorative Justice : Hawai'i Women's Prison Writing [Electronic book] / Leanne Trapedo Sims.

Durham : Duke University Press, [2023]




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Poverty and Prejudice : Religious Inequality and the Struggle for Sustainable Development [Electronic book] / ed. by Mariz Tadros, Philip Mader, Kathryn Cheeseman.

Bristol : Bristol University Press, [2023]




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Octavia's brood : science fiction stories from social justice movements [Electronic book] / edited by Walidah Imarisha and adrienne maree brown ; foreword by Sheree Renée Thomas.

Oakland, CA : AK Press ; [Albany, NY] : Institute for Anarchist Studies, [2015]




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The Lost History of Sextus Aurelius Victor [Electronic book] / Justin Stover, George Woudhuysen.

Edinburgh : Edinburgh University Press, [2023]




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Literature and sustainability : Concept, text and culture [Electronic book] / ed. by John Parham, Louise Squire, Adeline Johns-Putra.

Manchester : Manchester University Press, [2017]




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Legacy : how to build the sustainable economy [Electronic book] / Dieter Helm, University of Oxford.

Cambridge, United Kingdom ; New York, NY : Cambridge University Press, 2024.




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The Kojiki : an account of ancient matters [Electronic book] / [compiled by] Ō no Yasumaro ; translated by Gustav Heldt.

New York : Columbia University Press, [2014]




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Just Transformations : Grassroots Struggles for Alternative Futures [Electronic book] / Iokiñe Rodríguez, Mariana Walter, Leah Temper.

London : Pluto Press, 2023.




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Jane on the brain [Electronic book] : exploring the science of social intelligence with Jane Austen / Wendy Jones.

New York : Pegasus Books, 2017.




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Jane Austen : a style in history [Electronic book] / Cris Yelland.

New York, NY; Abingdon, Oxon : Routledge, Taylor & Francis Group, 2018.




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An introduction to sustainability [Electronic book] : environmental, social and personal perspectives / Martin Mulligan [and three others].

Abingdon, Oxon ; New York, New York : Routledge, Taylor & Francis Group : Earthscan, from Routledge, 2015.




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Die Interaktion zwischen Dirigent:in und Musiker:innen in Orchesterproben : Mehrsprachige und multimodale Interaktionsmuster zwischen Worten und Tönen, Händen und Füßen [Electronic book] / Monika Messner.

Berlin ; Boston : De Gruyter, [2023]




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A green and just recovery from COVID-19? : government investment in the energy transition during the pandemic [Electronic book] / Kyla Tienhaara [and nine others].

Cambridge : Cambridge University Press, 2023.




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Economic Transformation and Income Distribution in China over Three Decades [Electronic book] / Cai Meng, Bjorn Gustafsson, John Knight.

Cambridge : Cambridge University Press, 2023.




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Dismantling Green Colonialism : Energy and Climate Justice in the Arab Region [Electronic book] / Hamza Hamouchene, Katie Sandwell.

London : Pluto Press, 2023.




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Disability in the Industrial Revolution : Physical impairment in British coalmining, 1780-1880 [Electronic book] / David M. Turner, Daniel Blackie.

Manchester : Manchester University Press, [2018]




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Disability in industrial Britain : A cultural and literary history of impairment in the coal industry, 1880-1948 [Electronic book] / Kirsti Bohata, Alexandra Jones, Mike Mantin, Steven Thompson.

Manchester : Manchester University Press, [2020]




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Climate change and the oil industry : Common problem, varying strategies [Electronic book] / Jon Birger Skjaerseth, Jon Skjaerseth, Tora Skodvin.

Manchester : Manchester University Press, [2018]




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The City after Property : Abandonment and Repair in Postindustrial Detroit [Electronic book] / Sara Safransky.

Durham : Duke University Press, [2023]




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Building a peace economy? : Liberal peacebuilding and the development-security industry [Electronic book] / Jenny H. Peterson.

Manchester : Manchester University Press, [2018]




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Barron Field in New South Wales : the poetics of Terra Nullius [Electronic book] / Thomas H. Ford and Justin Clemens.

Carlton, Victoria : Melbourne University Publishing, 2023.




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Balkan holocausts? [Electronic book] / David Bruce MacDonald.

Manchester : Manchester University Press, [2018]




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Ay-Inversion in Tagalog : Information Structure and Morphosyntax of an Austronesian Language [Electronic book] / Patrick Nuhn.

Düsseldorf : düsseldorf university press, [2021]




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Anthropology, Film Industries, Modularity [Electronic book] / ed. by Ramyar D. Rossoukh, Steven C. Caton.

Durham : Duke University Press, [2021]




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Significant adsorption enhancements driven by pore microenvironment tuning for efficient C2H2/C2H4 separation in a chemically stable Ni7-cluster-based framework

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01856G, Research Article
Yunli Wang, Rizhao Zhang, Jin-Peng Xue, Yuqiao Chai, Bao Li, Jia Li
This study presents a stable Ni7-cluster MOF with enhanced adsorption through pore microenvironment tuning. Two types of guest-free frameworks achieve C2H2/C2H4 separation, providing deep insights into separation mechanisms.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Sulfonylcalix[4]arene-based Al4 clusters: three aluminum oxo clusters with different coordinated solvents for the CO2 cycloaddition reaction

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02096K, Research Article
Xiao-Jie Liu, Long-Xue Guo, Wei Xu, Ya-Wen Wang, Yuan-Hang Tian, Li-Xing Zhao, Xiao-Yu Li, Jin-Hua Li, Guo-Ming Wang
By using a macrocyclic H4BTC4A-SO2 ligand, we successfully synthesized three Al4 clusters with different solvents, which exhibit different potentials to expose metal active sites for the catalytic reaction. of cycloaddition of carbon dioxide.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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The „chemical tug-of-war” in carborane clusters: distinct tuning on different sides of the cluster

Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02566K, Research Article
Dalma Gál, Daniel Buzsaki, Balázs Szathmári, Tamas Holczbauer, Antal Udvardy, Júlia Kertész Szilágyiné, Denis Kargin, Clemens Bruhn, Rudolf Pietschnig, Zsolt Kelemen
The special C-C bond in the icosahedral closo-dicarbadodecaboranes and its high plasticity have been highlighted several times, which is reflected in the ease of tuning the C-C bond distance with...
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Atomically precise Ag25(SR)18 nanoclusters: a stable photosensitizer for photocatalysis

Inorg. Chem. Front., 2024, 11,7991-8002
DOI: 10.1039/D4QI01976H, Research Article
Linjian Zhan, Junyi Zhang, Boyuan Ning, Yunhui He, Guangcan Xiao, Zhixin Chen, Fang-Xing Xiao
Ag25(SR)18 nanocluster is utilized to couple with transition metal chalcogenides for constructing TMC/Ag25(SR)18 heterostructures, which demonstrate boosted photoactivities toward selective organic transformation and heavy metal reduction.
The content of this RSS Feed (c) The Royal Society of Chemistry