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Govt Asks Corporates To Clear MSME Dues On Priority

On Monday, the MSME Ministry has asked corporates of the country to clear dues of small and medium enterprises (SMEs) on priority as these payments are important for operations and sustenance of jobs in the sector. The government has directly taken




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Amazon Great Indian Festival 2024 Achieves Record Sales With Over 11 Crore Visits In Opening Days

The Amazon Great Indian Festival 2024 began on September 27 with 24-hour early access to Prime members. This event marked the most successful opening for sellers and brand partners on Amazon.in. In just the first two days, there were nearly 11




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Kartik Aaryan’s Bhool Bhulaiyaa 3 Ranks 6th On Comescore Global List 

Kartik Aaryan’s 'Bhool Bhulaiyaa 3' ranks 6th on the Comscore global list, continuing its successful run with a strong international performance.




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Living Alone? 5 Home Decor Ideas To Spruce Up Your Bachelor Pad

A bachelor pad is a home specifically for single men that are designed in a fashion that caters to their needs. The concept of a bachelor pad is prominent in urban areas where people migrate for work. Typically, a




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6 Best Ideas To Decorate With Greenery In Your Home

Adding greenery to your home is the most economical and creative way to spruce up your home. Beautiful plants or greenery via design elements help add a lovely green sheen to any corner or space. From ho-hum to beautiful, you can




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6 Decor Tips To Add A Luxurious Vibe To Your Living Room

If you always wanted to replicate the plush-looking living room look featured in home decor magazines and simply brushed off the idea thinking it will cost the earth, then it's time you change this decor perspective for good. For a start,




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An Easy Guide For Decorating A Foyer

A foyer area equals the 'impression card' for your home. Simply because that's the first thing everyone notices before entering your home. So it is extremely crucial that you present the foyer zone in such a way that it gives a




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How To Use Mirrors Innovatively To Reflect Your Home Décor

Mirrors are really tricky, not only do they reflect an image, but they reflect our tastes and style as well. They are cheap, readily available and can instantly enhance the charm of the décor. They can create many visual




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How To Use Ottomans In 6 Different Ways To Decorate Your Home

You may not have heard of Ottomans, but they can add oomph to your decor in numerous ways. This functional piece of furniture is extremely versatile and can be placed anywhere in your home. If you are bored of adding




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Exclusive: This Bengaluru-Based Green Initiative Is Turning Christmas Decorations Into Plants

Maybe Christmas is one of the most wonderful times of the year across the globe, but it is high time that we accept, it is a wasteful one as well. We all know how festive seasons are full of traditions and




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Fusion Trend Alert! Exploring How Bollywood Divas Are Owning The Corset-Saree Revolution

Saree blouses have long served as a creative canvas in the dynamic realm of ethnic fashion. The corset-saree combination, on the other hand, is the newest fashion to hit the red carpet and the holiday season. It's a striking, alluring twist




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

JEE Mains 2023: The National Testing Agency, NTA has opened the facility to edit and make corrections on the Joint Entrance Examination (JEE) 2023 application form for session 2 exam. BTech, BE and B.Arch candidates who have filled the JEE Mains




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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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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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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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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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Novel perturbative and variational methods for stronger correlations: general discussion

Faraday Discuss., 2024, 254,191-215
DOI: 10.1039/D4FD90041C, Discussion
Vibin 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 Zgid
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Correlation in extended systems: general discussion

Faraday Discuss., 2024, 254,682-707
DOI: 10.1039/D4FD90044H, Discussion
Ali 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. Zwijnenburg
The content of this RSS Feed (c) The Royal Society of Chemistry




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DNA TV Show: Why RBI increasing gold reserves amid record high price of yellow metal

By the end of September, the RBI had a total of 855 tonnes of gold, of which 510.5 tonnes were kept safe within India.




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Sanju Samson Birthday: Unique record held by Kerala cricketer in T20I that even MS Dhoni couldn't attain

Samson's journey has not been easy. New T20 captain Suryakumar Yadav and head coach Gautam Gambhir gave him confidence after a disappointing tour of Sri Lanka earlier this year when he struggled with form




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IND vs SA: Varun Chakravarthy takes 5-wicket-haul but enters THIS unwanted record in 2nd T20I

South Africa on Sunday secured a three-wicket win against India in the second T20I to level the series 1-1.




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Afghanistan Star Rahmanullah Gurbaz breaks Virat Kohli, Sachin Tendulkar's record, achieves THIS massive feat

This remarkable achievement came during a thrilling match against Bangladesh in Sharjah




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Delhi reports record high chikungunya, malaria cases in 5 years

The number of chikungunya cases in 2020 stood at 111, in 2021, there were 89 cases, in 2022, 48 cases, and in 2023, 65 cases.




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Meet woman who left corporate world to start her company, daughter-in-law of Indian billioniare, runs...

She pursued an MBA at The Wharton School of the University of Pennsylvania, US. Her initial career began in pharmaceuticals at Pfizer.




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A 150 years record of polycyclic aromatic compounds in the Sihailongwan Maar Lake, Northeast China: impacts of socio-economic developments and pollution control

Environ. Sci.: Processes Impacts, 2024, 26,1748-1759
DOI: 10.1039/D4EM00309H, Paper
Jianing Zhang, Chong Wei, Yongming Han, Benjamin A. Musa Bandowe, Dewen Lei, Wolfgang Wilcke
The geochemical composition of sediment cores can serve as a proxy for reconstructing past human and nature-driven environmental and climatic changes.
The content of this RSS Feed (c) The Royal Society of Chemistry




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You Can't Write That : 8 Myths About Correct English [Electronic book] / Laura Aull.

Cambridge : Cambridge University Press, 2023.




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The Winds of History : Life in a Corner of Rural Africa since the 19th Century [Electronic book] / Andreas Zeman.

München ; Wien : De Gruyter Oldenbourg, [2023]




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Social, health, and economic impacts of the COVID-19 pandemic and the epidemiological control measures : First results from SHARE Corona Waves 1 and 2 [Electronic book] / ed. by Axel Börsch-Supan, Anita Abramowska-Kmon, Karen Andersen-Ranberg, Agar B

Berlin ; Boston : De Gruyter, [2023]




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Sea Creatures [Electronic book] / Cordelia Lynn.

London : Nick Hern Books, 2023.




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Measuring difference, numbering normal : Setting the standards for disability in the interwar period [Electronic book] / Coreen McGuire.

Manchester : Manchester University Press, [2020]




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Language and Scottish literature [Electronic book] / John Corbett.

[United Kingdom] : Edinburgh University Press, 2020.




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Improper modernism : Djuna Barnes's bewildering corpus [Electronic book] / Daniela Caselli.

Abingdon : Routledge, 2016.




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Handbook of the Economics of Corporate Finance. Volume 1, Private Equity and Entrepreneurial Finance [Electronic book] / edited by B. Espen Eckbo, Gordon M. Phillips, Morten Sorensen.

San Diego : Elsevier Science & Technology, 2023.




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Ferocious reality : documentary according to Werner Herzog [Electronic book] / Eric Ames.

Minneapolis : University of Minnesota Press, [2012]




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Epigraphs in the English Novel 1750-1850 : Seducing the Reader [Electronic book] / Corrina Readioff.

Edinburgh : Edinburgh University Press, [2023]




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Ecology and Management of the African Buffalo [Electronic book] / edited by Alexandre Caron, Daniel Cornélis, Philippe Chardonnet, Herbert H. T. Prins.

Cambridge : Cambridge University Press, 2023.




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The corporeal image : film, ethnography, and the senses [Electronic book] / David MacDougall.

Princeton : Princeton University Press, [2005]




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CoronAsur : Asian Religions in the Covidian Age [Electronic book] / ed. by Emily Zoe Hertzman, Natalie Lang, Erica M. Larson, Carola E. Lorea.

Honolulu : University of Hawaii Press, [2023]




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Body images : embodiment as intercorporeality [Electronic book] / Gail Weiss.

New York : Routledge, 1999.




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Beyond concordance lines : corpora in language education [Electronic book] / edited by Pascual Pérez-Paredes, Geraldine Mark.

Amsterdam ; Philadelphia : John Benjamins Publishing Company, [2021]




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Accurate and Interpretable Representation of Correlated Electronic Structure via Tensor Product Selected CI

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00049H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Nicole M Braunscheidel, Arnab Bachhar, Nicholas J. Mayhall
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in drawing physical...
The content of this RSS Feed (c) The Royal Society of Chemistry




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On the notion of strong correlation in electronic structure theory

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00066H, Paper
Brad Ganoe, James Shee
Strong correlation has been said to have many faces, and appears to have many synonyms of questionable suitability. In this work we aim not to define the term once and...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Orbital optimisation in xTC transcorrelated methods

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00036F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Daniel Kats, Evelin Martine Corvid Christlmaier, Thomas Schraivogel, Ali Alavi
We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation. This allows us to implement non-iterative perturbation based methods on top of...
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Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00039K, Paper
Erika Magnusson, Aaron Fitzpatrick, Stefan Knecht, Martin Rahm, Werner Dobrautz
The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease the...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Multifunctional core–shell CaSnO3@N-doped carbon coaxial nanocables with excellent lithium storage performance and efficient microwave absorption

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02264E, Research Article
Xiaoqiang Li, Guangguang Guan, Siyi Tong, Xin Chen, Kaiyin Zhang, Jun Xiang
It is highly desirable but challenging to design multi-functional materials for energy storage and electromagnetic (EM) wave absorption.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Superior energy storage performance with a record high breakdown strength in bulk Ba0.85Ca0.15Zr0.1Ti0.9O3-based lead-free ceramics via multiple synergistic strategies

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02126F, Research Article
Changhao Wang, Jiaxi Hao, Longxiao Duan, Jianfan Zhang, Wenfeng Yue, Zhenhao Fan, Dandan Han, Raz Muhammad, Fanxu Meng, Dawei Wang
A composition and structure optimization strategy combined with a two-step sintering (TSS) process is proposed to design and fabricate (1−x)Ba0.85Ca0.15Zr0.1Ti0.9O3xBi(Mg1/2Sn1/2)O3 (BCZT-BMSx-TSS) lead-free ceramics.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Fe3O4-decorated MXene for the effective removal of 133Ba and 137Cs: synthesis, characterization, and optimization via response surface methodology (RSM)

Inorg. Chem. Front., 2024, 11,7860-7871
DOI: 10.1039/D4QI00404C, Research Article
Shalu Atri, Vipul Vilas Kusumkar, Süleyman İnan, Maros Gregor, Tomas Roch, Maria Caplovicova, Michal Galambos, Eva Viglasova, Gustav Plesch, Martin Motola, Olivier Monfort
The potential activity of Fe3O4 decorated MXenes in the removal of highly toxic 133Ba and 137Cs using a radioactive indicator method.
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Correction: BaSc2(HPO3)4(H2O)2: a new nonlinear optical phosphite exhibiting a 3D {[Sc2(HPO3)4]2−}∞ anionic framework and phase-matchable SHG effect

Inorg. Chem. Front., 2024, 11,8146-8146
DOI: 10.1039/D4QI90072C, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ru-Ling Tang, Gang-Xiang Liu, Wen-Dong Yao, Li-Nan Zhang, Wenlong Liu, Sheng-Ping Guo
The content of this RSS Feed (c) The Royal Society of Chemistry