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Tamil Nadu Common Entrance Test (TANCET) 2017 Registration Begins

The procedure for seeking admission to MBA, MCA, and M.E/ M.Tech/ M.Arch./ M.Plan. Degree programs for the academic year 2017-2018 consist of the following two steps: Appearing for the Tamil Nadu Common Entrance Test (TANCET) 2017 in March 2017.  Applying




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Income Tax Refund: పన్ను రిటర్న్ క్లెయిమ్ కోసం కొత్త మార్గదర్శకాలు ఇవే.. సీబీడీటీ వెల్లడి..

Tax Refund Claim: దేశంలో అధిక ఆదాయంతో పన్ను శాఖ ప్రకటించిన శ్లాబ్ రేట్లకు అనుగుణంగా తమ రిటర్న్ ఫైల్ చేస్తున్నారు. ఈ క్రమంలో చాలా మంది పాతపన్న పరిపాలనలో ఉన్న రిఫండ్స్, క్లెయిమ్స్ పొందేందుకు దాని ప్రకారం రిటర్న్ ఫైల్ చేస్తున్నారు. ఈ క్రమంలో సెంట్రల్ బోర్డ్ ఆఫ్ డైరెక్ట్ టాక్సెస్ నుంచి కొత్త మార్గదర్శకాలు




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Election Commission : ಶಿಗ್ಗಾವಿ ಕಾಂಗ್ರೆಸ್ ಅಭ್ಯರ್ಥಿ ಪಠಾಣ್ ವಿರುದ್ದ ಕೇಂದ್ರ ಚುನಾವಣಾ ಆಯೋಗಕ್ಕೆ ಬಿಜೆಪಿ ದೂರು

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New Generation Renault Duster Testing Commenced In India: All Details Here

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Comprehensive Guide To Car Leasing For Beginners In India

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Discover The Benefits Of Vehicle Tracking Systems For Enhanced Security & Management

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Kia Syros Name Confirmed: First SUV Under The Automaker's 2.0 Strategy

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Nissan Formula E Team Completes Successful Pre-Season Testing Ahead Of Season 11

Nissan Formula E Team completes pre-season testing in Madrid, focusing on new GEN3 Evo cars and strategies for the upcoming championship.




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Kia Seltos Second Generation Update: Design Changes & Hybrid Technology

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2024 Maruti Suzuki Dzire Video Review: Compact Sedan King Is Now More Desirable

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Delhi Government Considers Doubling Parking Fees To Tackle Air Pollution Crisis

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




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Bentley Continental GT And GTC Speed To Debut In Italy At Milano Autoclassica 2024

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Hyundai And Children’s Of Alabama Strengthen Commitment To Child Passenger Safety Through Community Events

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UCEED 2023: Counselling Registration will start from tomorrow; Check Details Here

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




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JEE Mains 2023 Application Form Correction Window Open; Check Details Here

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Kannur University Admission 2023: Applications are Invited for UG and PG Courses

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Concluding remarks: Faraday Discussion on NMR crystallography

Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD00155A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Sharon E. Ashbrook
This 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.
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Integrated scanning electrochemical cell microscopy platform with local electrochemical impedance spectroscopy using a preamplifier

Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD00122B, Paper
Ancheng Wang, Rong Jin, Dechen Jiang
An integrated SECCM with LEIS is established by combining the preamplifier based EIS measurement with scanning electrochemical cell microscopy.
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Electrochemiluminescence microscopy for the investigation of peptide interactions within planar lipid membranes

Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD00137K, Paper
Kaoru Hiramoto, Kosuke Ino, Ibuki Takahashi, Ayumi Hirano-Iwata, Hitoshi Shiku
We 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.
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Ion concentration polarization causes a nearly pore-length-independent conductance of nanopores

Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD00148F, Paper
DaVante Cain, Ethan Cao, Ivan Vlassiouk, Tilman E. Schäffer, Zuzanna S. Siwy
The conductance and selectivity of low-aspect-ratio nanopores are almost independent of the length due to polarization effects controlled by the geometric and electrochemical properties of the whole (pore + reservoir) system.
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Revealing the diverse electrochemistry of nanoparticles with scanning electrochemical cell microscopy

Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD00115J, Paper
Lachlan F. Gaudin, Cameron L. Bentley
Through presenting and discussing these findings, this article seeks to highlight complications in single-NP SECCM experiments, particularly those arising from issues with sample preparation.
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Seeing nanoscale electrocatalytic reactions at individual MoS2 particles under an optical microscope: probing sub-mM oxygen reduction reaction

Faraday Discuss., 2024, Advance Article
DOI: 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 Kanoufi
Interferometric scattering microscopy (iSCAT) allows visualizing individual petal-like MoS2 sub-microparticles and monitoring operando their activity towards oxygen reduction reaction.
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Scanning electrochemical probe microscopy: towards the characterization of micro- and nanostructured photocatalytic materials

Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD00136B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Giada Caniglia, Sarah Horn, Christine Kranz
The feasibility of fabricating micro- and sub-micro-sized AFM probes based on Pt-B electrodeposition for the electrochemical detection of H2 evolution is demonstrated.
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Regulation of transmembrane current through modulation of biomimetic lipid membrane composition

Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD00149D, Paper
Zhiwei Shang, Jing Zhao, Mengyu Yang, Yuling Xiao, Wenjing Chu, Yilin Cai, Xiaoqing Yi, Meihua Lin, Fan Xia
A biomimetic lipid membrane was developed by integrating DNA nanowires with a two-dimensional nanofluid membrane. By manipulating the DNA content, the composition of the membrane can be controlled, thereby adjusting ion transport.
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Advanced algorithm for step detection in single-entity electrochemistry: a comparative study of wavelet transforms and convolutional neural networks

Faraday Discuss., 2024, Advance Article
DOI: 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 Sekretareva
In this study, two approaches for step detection in single-entity electrochemistry data are developed and compared: discrete wavelet transforms and convolutional neural networks.
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Controlling the droplet cell environment in scanning electrochemical cell microscopy (SECCM) via migration and electroosmotic flow

Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD00080C, Paper
Open Access
Samuel F. Wenzel, Heekwon Lee, Hang Ren
The contributions of migration and electroosmotic flow induced by electrochemical redox molecules in dual-barrel SECCM were characterised.
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Charge-induced deformation of scanning electrolyte before contact

Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD00147H, Paper
Liang Liu
Deformation of liquid and gel electrolytes before touching the sample in SECCM and SGECM: equilibrium does not always exist.
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Unraveling Aqueous Alcohol Freezing : new theoretical tools from graph theory to extract molecular processes in MD simulations

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00165F, Paper
Rawan AbouHaidar, Sana Bougueroua, Denis DUFLOT, Marie-Pierre Gaigeot, Barbara E Wyslouzil, Celine Toubin
Ice 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...
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Heterogeneous Li coordination in solvent-in-salt electrolytes enables high Li transference numbers

Faraday Discuss., 2024, 253,343-364
DOI: 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 Schönhoff
Unusually 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.
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Overcoming passivation through improved mass transport in dense ionic fluids

Faraday Discuss., 2024, 253,329-342
DOI: 10.1039/D4FD00030G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Evangelia Daskalopoulou, Philip Hunt, Christopher E. Elgar, Minjun Yang, Andrew P. Abbott, Jennifer M. Hartley
Formation of metal passivation layers during electrochemical dissolution is prevented by the use of ultrasound. Migration becomes the main method of mass transport across the electrical double layer.
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Observation of cavitation dynamics in viscous deep eutectic solvents during power ultrasound sonication

Faraday Discuss., 2024, 253,458-477
DOI: 10.1039/D4FD00031E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ben Jacobson, Shida Li, Paul Daly, Christopher E. Elgar, Andrew P. Abbott, Andrew Feeney, Paul Prentice
We characterise the development of cavitation structure in three deep eutectic solvents of increasing viscosity, and water, via high-speed imaging and parallel acoustic detection..
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Overdetermination method for accurate dynamic ion correlations in highly concentrated electrolytes

Faraday Discuss., 2024, 253,100-117
DOI: 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 Roling
An 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.
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Cationic micelles in deep eutectic solvents: effects of solvent composition

Faraday Discuss., 2024, 253,26-41
DOI: 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. Edler
The 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.
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Linear ether-based highly concentrated electrolytes for Li–sulfur batteries

Faraday Discuss., 2024, 253,385-406
DOI: 10.1039/D4FD00024B, Paper
Toru Ishikawa, Shohei Haga, Keisuke Shigenobu, Taku Sudoh, Seiji Tsuzuki, Wataru Shinoda, Kaoru Dokko, Masayoshi Watanabe, Kazuhide Ueno
Linear 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.
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Ion transport in polymerized ionic liquids: a comparison of polycation and polyanion systems

Faraday Discuss., 2024, 253,426-440
DOI: 10.1039/D4FD00070F, Paper
Open Access
Javad Jeddi, Jukka Niskanen, Benoît H. Lessard, Joshua Sangoro
Four model 1,2,3-triazole-based polyILs with polycation or polyanion backbones, are investigated to understand the impact of mobile ion types and backbone chemical structure.
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Exploring the structure of type V deep eutectic solvents by xenon NMR spectroscopy

Faraday Discuss., 2024, 253,118-128
DOI: 10.1039/D4FD00083H, Paper
Open Access
Matteo Boventi, Michele Mauri, Franca Castiglione, Roberto Simonutti
Type V deep eutectic solvents thymol : camphor, menthol : thymol and eutectic mixtures based on menthol : carboxylic acids with variable chain length, are investigated to clarify the peculiar nanostructure of these materials..
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Spiers Memorial Lecture: From cold to hot, the structure and structural dynamics of dense ionic fluids

Faraday Discuss., 2024, 253,11-25
DOI: 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. Margulis
This 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.
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Concluding remarks: Dense ionic fluids: because sometimes, more is more

Faraday Discuss., 2024, 253,510-523
DOI: 10.1039/D4FD00150H, Paper
Rob Atkin
A 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.
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Nafion coated nanopore electrode for improving electrochemical aptamer-based biosensing

Faraday Discuss., 2024, Advance Article
DOI: 10.1039/D4FD00144C, Paper
Open Access
Grayson F. Huldin, Junming Huang, Julius Reitemeier, Kaiyu X. Fu
Nafion blocks the aptamer's active sites from planar gold, while the aptamer retains its redox activity from nanoporous gold.
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TBC - Concluding remarks

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00174E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Andrew Cooper
TBC
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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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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.
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Rapidly convergent quantum Monte Carlo using a Chebyshev projector

Faraday Discuss., 2024, 254,429-450
DOI: 10.1039/D4FD00035H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Zijun Zhao, Maria-Andreea Filip, Alex J. W. Thom
We present a series of algorithmic changes that can be used to accelerate the MR-CCMC algorithm in particular and QMC algorithms in general.
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Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions

Faraday Discuss., 2024, 254,542-569
DOI: 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. Booth
Efficient multi-state interpolation of many-body wavefunctions enables rigorous nonadiabatic molecular dynamics with analytical forces and nonadiabatic coupling vectors.
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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.
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Tiled unitary product states for strongly correlated Hamiltonians

Faraday Discuss., 2024, 254,157-169
DOI: 10.1039/D4FD00064A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Hugh G. A. Burton
Numerical 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.
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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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Introducing electron correlation in solid-state calculations for superconducting states

Faraday Discuss., 2024, 254,598-611
DOI: 10.1039/D4FD00073K, Paper
Wilver A. Muriel, Trinidad Novoa, Carlos Cárdenas, Julia Contreras-García
The 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.
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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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