al Gruhalakshmi Scheme: ಉಪ ಚುನಾವಣೆ ಸಂದರ್ಭದಲ್ಲಿ ಗೃಹಲಕ್ಷ್ಮೀ ಹಣ ಬಿಡುಗಡೆ ನೀತಿ ಸಂಹಿತೆ ಉಲ್ಲಂಘನೆ: ಬಸವರಾಜ ಬೊಮ್ಮಾಯಿ By kannada.oneindia.com Published On :: Tue, 12 Nov 2024 17:35:26 +0530 ಹಾವೇರಿ,ನವೆಂಬರ್ 12: ಪ್ರತಿ ಬಾರಿಯೂ ಚುನಾವಣೆಯ ಮುಂಚೆ ಮಹಿಳೆಯರ ಅಕೌಂಟ್ ಗೆ ಗೃಹಲಕ್ಷ್ಮೀ ಯೋಜನೆಯ ಎರಡು ಸಾವಿರ ರೂಪಾಯಿಯನ್ನು ಹಾಕುವುದು ನೀತಿ ಸಂಹಿತೆಯ ವಿರುದ್ದವಾಗಿದೆ. ಚುನಾವಣಾ ಆಯೋಗ ತಕ್ಷಣ ತಡೆ ಹಿಡಿಯಬೇಕು ಎಂದು ಮಾಜಿ ಮುಖ್ಯಮಂತ್ರಿ ಹಾಗೂ ಸಂಸದ ಬಸವರಾಜ ಬೊಮ್ಮಾಯಿ ಆಗ್ರಹಿಸಿದ್ದಾರೆ. ಈ ಕುರಿತು ಪತ್ರಿಕಾ ಹೇಳಿಕೆ ಬಿಡುಗಡೆ ಮಾಡಿರುವ ಅವರು, ಚುನಾವಣೆ ಪಾರದರ್ಶಕವಾಗಿರಬೇಕು. ರಾಜ್ಯ Full Article
al Rain Alert: ವಾಯುಭಾರ ಕುಸಿತ, ಇಂದಿನಿಂದ ಕರ್ನಾಟಕದ ಈ ಜಿಲ್ಲೆಗಳಿಗೆ ಭರ್ಜರಿ ಮಳೆ! By kannada.oneindia.com Published On :: Wed, 13 Nov 2024 08:40:30 +0530 ಮಳೆ ಆರ್ಭಟ ಮತ್ತೆ ಶುರುವಾಗಿದೆ, ಜನರಿಗೆ ಕೂಡ ಇದರಿಂದ ಭಾರಿ ಟೆನ್ಷನ್ ಎದುರಾಗಿದೆ. ಇನ್ನೇನು ಚಳಿಗಾಲದ ಆರಂಭದಲ್ಲಿ ಮಳೆರಾಯ ಈ ರೀತಿ ಕಾಟ ಕೊಡುತ್ತಿರುವ ಕಾರಣಕ್ಕೆ, ಜನರಲ್ಲಿ ಸಾಂಕ್ರಾಮಿಕ ರೋಗಗಳ ಭೀತಿ ಕೂಡ ಎದುರಾಗಿದೆ. ಮತ್ತೊಂದು ಕಡೆ ರೈತರಿಗೂ ತಾವು ಕಷ್ಟಪಟ್ಟು ಬೆಳೆದ ಬೆಳೆ ಉಳಿಸಿಕೊಳ್ಳುವ ಅನಿವಾರ್ಯತೆ ನಿರ್ಮಾಣ ಆಗಿದೆ. ಹಾಗಿದ್ರೆ ಇದೀಗ ನೀಡಿರುವ ಅಲರ್ಟ್ ಪ್ರಕಾರ Full Article
al New Generation Renault Duster Testing Commenced In India: All Details Here By www.drivespark.com Published On :: Mon, 11 Nov 2024 13:09:15 +0530 Renault has started testing the new-generation Duster on Indian roads, with a launch anticipated in 2025. The test vehicle was heavily camouflaged, but certain features like the rear door handles and taillight design confirmed its identity. This model is expected to Full Article
al 2025 Honda Amaze Design Sketch Revealed: Premium Interiors, Advanced Tech & More By www.drivespark.com Published On :: Mon, 11 Nov 2024 15:25:44 +0530 Honda Cars India Ltd. (HCIL) has heightened excitement for its upcoming model by unveiling teaser sketches of the third-generation Honda Amaze. Scheduled to launch on 4th December 2024, this compact sedan aims to elevate style and sophistication in its class, challenging Full Article
al Mercedes-AMG C63 S E Performance To Be Launched Today: All Details Here By www.drivespark.com Published On :: Tue, 12 Nov 2024 09:35:17 +0530 Mercedes-Benz is all set to introduce the AMG C63 S E Performance today in India. This vehicle stands out as it houses the globe's most potent 4-cylinder engine, showcasing the brand's commitment to innovation and performance. This launch is particularly special Full Article
al Bentley Continental GT And GTC Speed To Debut In Italy At Milano Autoclassica 2024 By www.drivespark.com Published On :: Tue, 12 Nov 2024 21:51:11 +0530 Discover the Bentley Continental GT and GTC Speed at Milano Autoclassica 2024, showcasing luxury, performance, and innovative design. Full Article
al Hyundai And Children’s Of Alabama Strengthen Commitment To Child Passenger Safety Through Community Events By www.drivespark.com Published On :: Wed, 13 Nov 2024 01:51:17 +0530 Hyundai and Children’s of Alabama continue their partnership to promote child passenger safety, providing resources and inspections for families. Full Article
al Hyundai To Unveil The All-Electric IONIQ 9 During Livestream Event At AutoMobility LA On November 21 By www.drivespark.com Published On :: Wed, 13 Nov 2024 07:51:12 +0530 Join Hyundai for the livestream debut of the 2025 IONIQ 9 all-electric SUV on November 21 at AutoMobility LA. Discover the latest innovations. Full Article
al TISSNET 2023 Final Answer Key will be Out Today By www.careerindia.com Published On :: Mon, 13 Mar 2023 11:31:08 +0530 TISSNET 2023: The Tata Institute of Social Science (TISS) will issue the final answer key for the TISS National Entrance TEST (TISSNET) 2023 today, March 13. Candidates can check the answer key by visiting the official website at admissions.tiss.edu. The Final Full Article
al Admissions in Kendriya Vidyalaya Class 1-11 to Start Soon, Check Last Date, How to do Registration By www.careerindia.com Published On :: Tue, 21 Mar 2023 22:17:39 +0530 The Kendriya Vidyalaya Sangathan has announced the class 1 admission registration window. So, students who are interested in enrolling in any of the classes from one to eleventh can find out everything they need to know about admission. Aside from KVS Full Article
al MBA vs PGDM: Differences, Eligibility, Admission, Jobs, Salary 2023 By www.careerindia.com Published On :: Tue, 19 Sep 2023 14:05:54 +0530 Fees (in INR)IT, Operations Management, Business Analytics, Marketing, HR, etc."What is more valuable, an MBA or a PGDM?" This question has long caused consternation among management candidates. Both the Master of Business Administration (MBA Full Form) and the Post Graduate Diploma Full Article
al Kerala University M.Ed 2024: Application Process, Eligibility and more By www.careerindia.com Published On :: Thu, 07 Dec 2023 11:43:03 +0530 The University of Kerala, one of India's founding 16 universities, offers undergraduate and postgraduate degrees in a variety of subjects and is associated with 150 government/private aided and private unaided colleges. M.Ed is a two-year professional course aimed to improve applicants' Full Article
al Concluding remarks: Faraday Discussion on NMR crystallography By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00155A, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Sharon E. AshbrookThis Faraday Discussion explored the field of NMR crystallography, considering recent developments in experimental and theoretical approaches, new advances in machine learning and applications to disordered, amorphous and dynamic materials.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
al The electrochemical modulation of single molecule fluorescence By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00111G, PaperYing Yang, Yuanqing Ma, J. Justin GoodingWe demonstrate how to effectively modulate the fluorescence intensity of organic dye-labelled cell samples on an indium tin oxide surface using electrochemistry with redox-active mediators present in an oxygen scavenger buffer.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
al Molecular sandwich-based DNAzyme catalytic reaction towards transducing efficient nanopore electrical detection of antigen proteins By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00146J, PaperLebing Wang, Shuo Zhou, Yunjiao Wang, Yan Wang, Jing Li, Xiaohan Chen, Daming Zhou, Liyuan Liang, Bohua Yin, Youwen Zhang, Liang WangA molecular sandwich-based DNAzyme catalytic reaction is capable of transducing detectable nucleic acids as a substitute for difficult to yield protein detection in complicated biological matrices, in a nanopore.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
al Integrated scanning electrochemical cell microscopy platform with local electrochemical impedance spectroscopy using a preamplifier By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00122B, PaperAncheng Wang, Rong Jin, Dechen JiangAn integrated SECCM with LEIS is established by combining the preamplifier based EIS measurement with scanning electrochemical cell microscopy.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
al Single-molecule electrochemical imaging of ‘split waves’ in the electrocatalytic (EC') mechanism By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00126E, PaperWandong Zhao, Jin LuImaging the single molecule electrocatalytic (EC') process and correlating it with the conventional ensemble EC' mechanism.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
al Non-sticky SiNx nanonets for single protein denaturation analysis By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00117F, PaperYuanhao Wang, Nan An, Bintong Huang, Yueming ZhaiDenaturation of individual ovalbumin induced by guanidine hydrochloride and lead ions was investigated by using non-sticky SiNx nanonets.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
al Revealing the diverse electrochemistry of nanoparticles with scanning electrochemical cell microscopy By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00115J, PaperLachlan F. Gaudin, Cameron L. BentleyThrough presenting and discussing these findings, this article seeks to highlight complications in single-NP SECCM experiments, particularly those arising from issues with sample preparation.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
al Seeing nanoscale electrocatalytic reactions at individual MoS2 particles under an optical microscope: probing sub-mM oxygen reduction reaction By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00132J, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Nikan Afsahi, Zhu Zhang, Sanli Faez, Jean-Marc Noël, Manas Ranjan Panda, Mainak Majumder, Naimeh Naseri, Jean-François Lemineur, Frédéric KanoufiInterferometric scattering microscopy (iSCAT) allows visualizing individual petal-like MoS2 sub-microparticles and monitoring operando their activity towards oxygen reduction reaction.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
al Scanning electrochemical probe microscopy: towards the characterization of micro- and nanostructured photocatalytic materials By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00136B, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Giada Caniglia, Sarah Horn, Christine KranzThe feasibility of fabricating micro- and sub-micro-sized AFM probes based on Pt-B electrodeposition for the electrochemical detection of H2 evolution is demonstrated.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
al Advanced algorithm for step detection in single-entity electrochemistry: a comparative study of wavelet transforms and convolutional neural networks By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00130C, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ziwen Zhao, Arunava Naha, Nikolaos Kostopoulos, Alina SekretarevaIn this study, two approaches for step detection in single-entity electrochemistry data are developed and compared: discrete wavelet transforms and convolutional neural networks.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
al Controlling the droplet cell environment in scanning electrochemical cell microscopy (SECCM) via migration and electroosmotic flow By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00080C, Paper Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Samuel F. Wenzel, Heekwon Lee, Hang RenThe contributions of migration and electroosmotic flow induced by electrochemical redox molecules in dual-barrel SECCM were characterised.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
al Nanoscale visualization of the anti-tumor effect of a plasma-activated Ringer's lactate solution By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00116H, Paper Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Junichi Usuda, Kenshin Yagyu, Hiromasa Tanaka, Masaru Hori, Kenji Ishikawa, Yasufumi TakahashiTo characterize the anti-tumor effect of plasma-activated Ringer's lactate solutions, we used scanning ion conductance microscopy, using glass nanopipettes as probes, to visualize the structural changes of the cell surface.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
al Unraveling Aqueous Alcohol Freezing : new theoretical tools from graph theory to extract molecular processes in MD simulations By pubs.rsc.org Published On :: Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039/D4FD00165F, PaperRawan AbouHaidar, Sana Bougueroua, Denis DUFLOT, Marie-Pierre Gaigeot, Barbara E Wyslouzil, Celine ToubinIce clouds in the upper troposphere are crucial for regulating Earth’s climate by affecting stratospheric humidity and the global radiative balance. A key aspect of cloud formation is heterogeneous ice...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Heterogeneous Li coordination in solvent-in-salt electrolytes enables high Li transference numbers By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,343-364DOI: 10.1039/D4FD00012A, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Anne Hockmann, Florian Ackermann, Diddo Diddens, Isidora Cekic-Laskovic, Monika SchönhoffUnusually high Li transference numbers (t+ > 0.7) in a bisolvent-in-salt electrolyte are explained by a heterogeneous Li solvation structure, which yields two distinctly different Li species with different transport behavior.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Speciation of the proton in water-in-salt electrolytes By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,478-492DOI: 10.1039/D4FD00027G, PaperKateryna Goloviznina, Alessandra Serva, Mathieu SalanneIn 21 m LiTFSI water-in-salt electrolyte, the proton forms species existing in bulk water (H3O+, H5O2+, etc.) as well as the HTFSI acid, known to be a superacid in water.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Deep eutectic solvents on a tightrope: balancing the entropy and enthalpy of mixing By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,273-288DOI: 10.1039/D4FD00048J, PaperAdriaan van den Bruinhorst, Chiara Corsini, Guillaume Depraetère, Nithavong Cam, Agílio Pádua, Margarida Costa GomesWe quantified the balance between excess enthalpy (interactions) and excess entropy (structure/disorder) of mixing that determines large melting point depressions in deep eutectic solvents (DESs), reformulating the role of hydrogen bonding in DESs.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Electric field induced associations in the double layer of salt-in-ionic-liquid electrolytes By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,365-384DOI: 10.1039/D4FD00021H, Paper Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Daniel M. Markiewitz, Zachary A. H. Goodwin, Michael McEldrew, J. Pedro de Souza, Xuhui Zhang, Rosa M. Espinosa-Marzal, Martin Z. BazantWe have developed a theory for the electrical double layer of salt-in-ionic liquids accounting for the thermoreversible association of ions into Cayley tree aggregates. We find that the solution becomes more aggregated at moderate positive voltages.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Chemical models for dense solutions By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,79-99DOI: 10.1039/D4FD00084F, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.J.-F. Dufrêche, B. Siboulet, M. DuvailHere we examine the question of the chemical models widely used to describe dense solutions, particularly ionic solutions.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Spiers Memorial Lecture: From cold to hot, the structure and structural dynamics of dense ionic fluids By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,11-25DOI: 10.1039/D4FD00086B, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Matthew S. Emerson, Raphael Ogbodo, Claudio J. MargulisThis article presents a perspective on what we think are key topics related to the structure and structural dynamics of ILs and to some extent high-temperature molten salts.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Ionic fluids at equilibrium: thermodynamics, nanostructure, phase behaviour, activity: general discussion By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,289-313DOI: 10.1039/D4FD90035A, DiscussionAndrew P. Abbott, Rob Atkin, Duncan W. Bruce, Paola Carbone, Giacomo Damilano, Robert A. W. Dryfe, Jean-Francois Dufrêche, Karen J. Edler, Y. K. Catherine Fung, Kateryna Goloviznina, Margarida Costa Gomes, Alexis Grimaud, Timothy S. Groves, Jennifer M. Hartley, John D. Holbrey, Christian Holm, Pierre Illien, Roland Kjellander, Alexei Kornyshev, Kevin R. J. Lovelock, Daniel M. Markiewitz, Joshua Maurer, Shurui Miao, Naoya Nishi, Beatriz Rocha de Moraes, Bernhard Roling, Benjamin Rotenberg, Joshua Sangoro, Nicolas Schaeffer, Monika Schönhoff, David J. Sconyers, John M. Slattery, Małgorzata Swadźba-Kwaśny, Adriaan van den Bruinhorst, Tom WeltonThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al New directions in experiment and theory, interfaces, and interactions: general discussion By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,493-509DOI: 10.1039/D4FD90037E, DiscussionRob 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 YangThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Ionic fluids out of equilibrium: electrodeposition, dissolution, electron transfer, driving forces: general discussion By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,407-425DOI: 10.1039/D4FD90036G, DiscussionAndrew P. Abbott, Rob Atkin, Margarida Costa Gomes, Jean-François Dufrêche, Christopher E. Elgar, Y. K. Catherine Fung, Kateryna Goloviznina, Alexis Grimaud, Benworth Hansen, Jennifer M. Hartley, Christian Holm, Alexei Kornyshev, Kevin R. J. Lovelock, Daniel M. Markiewitz, Joshua Maurer, Shurui Miao, Susan Perkin, Frederik Philippi, Bernhard Roling, Nicolas Schaeffer, Monika Schönhoff, David J. Sconyers, Neave Taylor, Kazuhide Ueno, Adriaan van den Bruinhorst, Masayoshi Watanabe, Yuki YamadaThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Structure and dynamics in dense ionic fluids: general discussion By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,146-180DOI: 10.1039/D4FD90034K, DiscussionAndrew P. Abbott, Rob Atkin, Muhammad Dabai Bala, Stuart J. Brown, Duncan W. Bruce, Paola Carbone, Franca Castiglione, Margarida Costa Gomes, Jean-François Dufrêche, Karen J. Edler, Andrew Feeney, Kateryna Goloviznina, Juan Luis Gómez-Estévez, Timothy S. Groves, Benworth Hansen, Rachel Hendrikse, Christian Holm, Pierre Illien, Roland Kjellander, Alexei Kornyshev, Claudio J. Margulis, Joshua Maurer, Shurui Miao, Susan Perkin, Elixabete Rezabal, Beatriz Rocha de Moraes, Bernhard Roling, Benjamin Rotenberg, Joshua Sangoro, Nicolas Schaeffer, Monika Schönhoff, Karina Shimizu, John M. Slattery, Neave Taylor, Yasuhiro Umebayashi, Adriaan van den Bruinhorst, Masayoshi Watanabe, Fabian ZillsThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Re-evaluating retrosynthesis algorithms with Syntheseus By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00093E, PaperKrzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, Marwin H. S. SeglerSyntheseus provides reference models and search algorithms as well as metrics to evaluate and improve synthesis planning tools.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
al Spiers Memorial Lecture: New horizons in nanoelectrochemistry By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00159A, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Oluwasegun Wahab, Lane A. BakerThis introductory lecture prefaces the 2024 New Horizons in Nanoelectrochemistry Faraday Discussion.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
al Nafion coated nanopore electrode for improving electrochemical aptamer-based biosensing By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00144C, Paper Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Grayson F. Huldin, Junming Huang, Julius Reitemeier, Kaiyu X. FuNafion blocks the aptamer's active sites from planar gold, while the aptamer retains its redox activity from nanoporous gold.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
al 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
al Challenges with relativistic GW calculations in solids and molecules By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,216-238DOI: 10.1039/D4FD00043A, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Gaurav Harsha, Vibin Abraham, Dominika ZgidAccurate electronic-structure calculations for molecules and solids with heavy elements require an interplay of electronic correlations and relativistic effects. However, this tedious task poses problems for the existing quantum chemistry machinery.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al 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
al Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,542-569DOI: 10.1039/D4FD00062E, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kemal Atalar, Yannic Rath, Rachel Crespo-Otero, George H. BoothEfficient multi-state interpolation of many-body wavefunctions enables rigorous nonadiabatic molecular dynamics with analytical forces and nonadiabatic coupling vectors.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Striking the right balance of encoding electron correlation in the Hamiltonian and the wavefunction ansatz By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,359-381DOI: 10.1039/D4FD00060A, Paper Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Kalman Szenes, Maximilian Mörchen, Paul Fischill, Markus ReiherWe 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 Full Article
al 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
al Restoring translational symmetry in periodic all-orbital dynamical mean-field theory simulations By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,641-652DOI: 10.1039/D4FD00068D, Paper Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jiachen Li, Tianyu ZhuThe use of overlapping atom-centered impurity fragments in recently-developed ab initio all-orbital DMFT, where all local orbitals within the impurity are treated with high-level quantum chemistry impurity solvers, is investigated.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Introducing electron correlation in solid-state calculations for superconducting states By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,598-611DOI: 10.1039/D4FD00073K, PaperWilver A. Muriel, Trinidad Novoa, Carlos Cárdenas, Julia Contreras-GarcíaThe 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 Full Article
al 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
al Novel perturbative and variational methods for stronger correlations: general discussion By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,191-215DOI: 10.1039/D4FD90041C, DiscussionVibin Abraham, Kemal Atalar, Kenneth O. Berard, George H. Booth, Hugh G. A. Burton, Garnet K.-L. Chan, Francesco A. Evangelista, Maria-Andreea Filip, Emmanuel Giner, Alexander Gunasekera, Peter J. Knowles, Marie-Bernadette Lepetit, Ke Liao, Pierre-François Loos, Erika Magnusson, Nicholas J. Mayhall, Carlos Mejuto-Zaera, Frank Neese, Verena A. Neufeld, Pinkie Ntola, Felix Plasser, Visagan Ravindran, Christian Schilling, Gustavo Scuseria, James Shee, Benjamin X. Shi, David P. Tew, Alex J. W. Thom, Zikuan Wang, Dominika ZgidThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Stochastic and low-scaling techniques/extended systems: general discussion By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,570-585DOI: 10.1039/D4FD90043J, DiscussionAli 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. ZwijnenburgThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
al Correlation in extended systems: general discussion By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,682-707DOI: 10.1039/D4FD90044H, DiscussionAli 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. ZwijnenburgThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
