el Election Commission : ಶಿಗ್ಗಾವಿ ಕಾಂಗ್ರೆಸ್ ಅಭ್ಯರ್ಥಿ ಪಠಾಣ್ ವಿರುದ್ದ ಕೇಂದ್ರ ಚುನಾವಣಾ ಆಯೋಗಕ್ಕೆ ಬಿಜೆಪಿ ದೂರು By kannada.oneindia.com Published On :: Wed, 13 Nov 2024 09:43:42 +0530 ಹಾವೇರಿ, ನವೆಂಬರ್ 13: ಶಿಗ್ಗಾವಿ ಕ್ಷೇತ್ರದ ಕಾಂಗ್ರೆಸ್ ಅಭ್ಯರ್ಥಿ ಯಾಸೀರ್ ಖಾನ್ ಪಠಾಣ್ ವಿರುದ್ದ ಬಿಜೆಪಿ ಮುಖ್ಯ ಚುನಾವಣಾ ಆಯುಕ್ತರಿಗೆ ದೂರು ನೀಡಿದೆ. ಬಿಜೆಪಿ ಚುನಾವಣಾ ಏಜೆಂಟ್ ಆಗಿರುವ ಎಸ್ ಕೆ ಅಕ್ಕಿ ಇ - ಮೇಲ್ ಮೂಲಕ ಮುಖ್ಯ ಚುನಾವಣಾ ಆಯುಕ್ತರಿಗೆ ದೂರು ನೀಡಿದ್ದಾರೆ. ಹಾವೇರಿ ಎಸ್ ಪಿ ಆಂಶುಕುಮಾರ್ ಅವರು ಕಾಂಗ್ರೆಸ್ ಅಭ್ಯರ್ಥಿ ಯಾಸೀರ್ Full Article
el Explore The New MINI Family: Eleven Innovative Models Set For 2025 Release By www.drivespark.com Published On :: Mon, 11 Nov 2024 21:51:18 +0530 Discover the all-new MINI family with 11 exciting models set to launch in 2025, featuring advanced technology and classic design. Full Article
el Milltek Launches New Exhaust Systems For Toyota Landcruiser, Dodge RAM 1500, And Ford Models In USA By www.drivespark.com Published On :: Tue, 12 Nov 2024 02:51:12 +0530 Milltek introduces new exhaust systems for Toyota Landcruiser, Tacoma, Dodge RAM 1500, Ford F150, and Bronco to enhance sound and performance. Full Article
el Kia Seltos Second Generation Update: Design Changes & Hybrid Technology By www.drivespark.com Published On :: Tue, 12 Nov 2024 12:09:46 +0530 The Kia Seltos, launched in August 2019, has become a key player in the mid-size SUV market. Its modern design and extensive features have made it a standout model. This vehicle accounts for over 48% of Kia's sales in India, highlighting Full Article
el Delhi Government Considers Doubling Parking Fees To Tackle Air Pollution Crisis By www.drivespark.com Published On :: Tue, 12 Nov 2024 19:23:11 +0530 India faces a growing air pollution crisis, with emissions from factories and construction activities being significant contributors. Petrol and diesel vehicles also play a major role in this issue. To address this, both central and state governments are implementing measures to Full Article
el Volkswagen Unveils Enhanced Offer Structure For 2025 Golf GTI And Golf R Models By www.drivespark.com Published On :: Tue, 12 Nov 2024 20:51:24 +0530 Discover the refreshed offer structure for the 2025 Volkswagen Golf GTI and Golf R, featuring enhanced performance and modern designs. Full Article
el 2026 Cadillac VISTIQ: A New Standard In Luxury Electric SUVs With Advanced Features By www.drivespark.com Published On :: Tue, 12 Nov 2024 22:51:14 +0530 Discover the 2026 Cadillac VISTIQ, a luxury electric SUV offering performance, spaciousness, and cutting-edge technology for an elevated driving experience. Full Article
el Porsche Enhances Taycan Line-Up With Three New Models For 2025 By www.drivespark.com Published On :: Wed, 13 Nov 2024 02:51:06 +0530 Porsche introduces three new Taycan models, enhancing performance and efficiency for diverse customer needs in the electric vehicle market. Full Article
el 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
el UCEED 2023: Counselling Registration will start from tomorrow; Check Details Here By www.careerindia.com Published On :: Mon, 13 Mar 2023 11:57:40 +0530 UCEED 2023: The Indian Institute of Technology (IIT) Bombay will start the Undergraduate Common Entrance Examination (UCEED) 2023 counselling registration from tomorrow onwards, March 14, 2023. Candidates who are interested and eligible they can apply for UCEED Counselling for admission to Full Article
el KC Mahindra Education Trust released the scholarship for Indian students in PG Programmes By www.careerindia.com Published On :: Mon, 13 Mar 2023 13:47:17 +0530 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 Full Article
el UCEED 2023: Seat Matrix For B.Des Programme Released; Check Details Here By www.careerindia.com Published On :: Tue, 14 Mar 2023 11:34:32 +0530 UCEED 2023: The Under Graduate Common Entrance Test for Design (UCEED) 2023 seat matrix has been released for the Bachelor of Design programme. The category wise distribution of the available seats at IIT Bombay, IIT Delhi, IIT Guwahati, IIT Hyderabad and Full Article
el NID DAT 2023: Prelims Result Out at admissions.nid.edu; Know How to Check By www.careerindia.com Published On :: Thu, 16 Mar 2023 13:29:27 +0530 NID DAT 2023: The National Institute of Design has disclose the result of the preliminary Design of Aptitude test (DAT0 for admission to Bachelor's of Design programmes today, March 16, 2023. Students who have appeared for the examination can check the NID Full Article
el Jaypee Business School 2023: MBA Admission Open; Know Eligibility, Fees and Selection Process By www.careerindia.com Published On :: Wed, 12 Apr 2023 14:19:53 +0530 Jaypee Business School 2023: The Jaypee Business School (JBS), Noida admissions are open for full time Master of Business Administration (MBA) 2023 programme. The MBA Programme is offered in specialization in different fields. Those candidates who are interested and eligible they can Full Article
el 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
el 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
el DU Issues Guidelines For PhD Admission 2024, Details Here By www.careerindia.com Published On :: Sun, 19 May 2024 16:44:22 +0530 For the 2024-2025 Academic Year, Delhi University is going to accept scores from the University Grants Commission National Eligibility Test (UGC NET) for admission to PhD programs. To be admitted to PhD programs, candidates in Categories 2 and 3 will have Full Article
el 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
el Ion current oscillation of polyelectrolyte modified micropipettes By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00135D, PaperTianyi Xiong, Wenjie Ma, Ping YuIon current oscillation of polyelectrolyte modified micropipettes in pH gradients was discovered and regulated. The periodic switch between the protonated/deprotonated state of modified micropipettes contributed to the spontaneous ICO observation.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
el 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
el 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
el 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
el Electrochemiluminescence microscopy for the investigation of peptide interactions within planar lipid membranes By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00137K, PaperKaoru Hiramoto, Kosuke Ino, Ibuki Takahashi, Ayumi Hirano-Iwata, Hitoshi ShikuWe propose the use of electrochemiluminescence microscopy in a solution of [Ru(bpy)3]2+ and tri-n-propylamine to monitor alterations in lipid membranes due to peptide action.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
el 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
el 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
el 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
el 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
el Enzyme-modified Pt nanoelectrodes for glutamate detection By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00138A, PaperPeibo Xu, Henry David Jetmore, Ran Chen, Mei ShenGlutamate detection on a glutamate oxidase-modified Pt nanoelectrode with the smallest area to date.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
el 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
el Delivery of carbon dioxide to an electrode surface using a nanopipette By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00124A, PaperJaimy Monteiro, Harry Dunne, Kim McKelveyA new scanning probe approach for the delivery of a gas-phase reactant to the surface of an electrocatalyst through a self-replenishing bubble located at the end of a scanning probe has been developed.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
el Charge-induced deformation of scanning electrolyte before contact By pubs.rsc.org Published On :: Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00147H, PaperLiang LiuDeformation of liquid and gel electrolytes before touching the sample in SECCM and SGECM: equilibrium does not always exist.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
el 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
el 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
el Overdetermination method for accurate dynamic ion correlations in highly concentrated electrolytes By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,100-117DOI: 10.1039/D4FD00034J, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Tabita Pothmann, Maleen Middendorf, Christian Gerken, Pinchas Nürnberg, Monika Schönhoff, Bernhard RolingAn experimental overdetermination method and a Reverse Monte Carlo-based approach lead to strongly reduced uncertainties of transport parameters for highly concentrated electrolytes and to accurate information about ion correlations and transport limitations in batteries.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
el 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
el Cationic micelles in deep eutectic solvents: effects of solvent composition By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,26-41DOI: 10.1039/D4FD00045E, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Iva Manasi, Stephen M. King, Karen J. EdlerThe size of cationic micelles in a pTSA based deep eutectic solvent can be tuned by changing the solvent composition, which alters the surfactant–solvent interactions.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
el 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
el Linear ether-based highly concentrated electrolytes for Li–sulfur batteries By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,385-406DOI: 10.1039/D4FD00024B, PaperToru Ishikawa, Shohei Haga, Keisuke Shigenobu, Taku Sudoh, Seiji Tsuzuki, Wataru Shinoda, Kaoru Dokko, Masayoshi Watanabe, Kazuhide UenoLinear ether-based electrolytes show low solubility of the sulfur species, stability towards Li metal and polysulfide nucleophiles. Li–S cells using the lightweight electrolyte demonstrated an energy density exceeding 300 W h kg−1.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
el 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
el Speciation and dipole reorientation dynamics of glass-forming liquid electrolytes: Li[N(SO2CF3)2] mixtures of 1,3-propane sultone or tetrahydrothiophene-1,1-dioxide By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,42-54DOI: 10.1039/D4FD00050A, PaperYasuhiro Umebayashi, Erika Otani, Hikari Watanabe, Jihae HanLi[(CF3SO2)2N] mixtures with propane sultone or sulfolane, newly termed as glass-forming liquid electrolytes, exhibited large-size aggregate (AGG) formation via speciation and dipole reorientation. The AGGs may be crucial for the unique Li+ conduction.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
el 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
el 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
el 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
el 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
el 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
el 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
el 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
el Tiled unitary product states for strongly correlated Hamiltonians By pubs.rsc.org Published On :: Faraday Discuss., 2024, 254,157-169DOI: 10.1039/D4FD00064A, Paper Open Access This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Hugh G. A. BurtonNumerical results demonstrate that highly accurate energies can be achieved with a compact quantum-compatible ansatz for both weak and strong correlation in the Hubbard model, and the repulsive pairing Hamiltonian.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
el 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
el 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
