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Cricket gains popularity in Ireland



  • A J Vinayak

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‘Milk is costly, cola is not’



  • A J Vinayak

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To supply milk or not



  • A J Vinayak

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In silico validation of allosteric inhibitors targeting Zika virus NS2B–NS3 protease

Phys. Chem. Chem. Phys., 2024, 26,27684-27693
DOI: 10.1039/D4CP02867H, Paper
Yeng-Tseng Wang, Yuan-Chin Hsieh, Tin-Yu Wu
The Zika virus (ZIKV), a member of the Flaviviridae family, poses a major threat to human health because of the lack of effective antiviral drugs.
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The effect of hydrogen bonding on the π depletion and the π–π stacking interaction

Phys. Chem. Chem. Phys., 2024, 26,27431-27438
DOI: 10.1039/D4CP02889A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Usman Ahmed, Dage Sundholm, Mikael P. Johansson
Calculations on molecules with self-complementary hydrogen bonding show that hydrogen bonds increase the energy of π–π stacking interactions.
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Oxidation of fine aluminum particles: thermally induced transformations in particle shells and kinetics of oxide nucleation

Phys. Chem. Chem. Phys., 2024, 26,27602-27616
DOI: 10.1039/D4CP03355H, Paper
Andrey V. Korshunov
A submicron aluminum particle during oxidation is a shrinking spherical segment due to the growth of a single γ-Al2O3 nucleus.
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An in-depth investigation of lead-free KGeCl3 perovskite solar cells employing optoelectronic, thermomechanical, and photovoltaic properties: DFT and SCAPS-1D frameworks

Phys. Chem. Chem. Phys., 2024, 26,27704-27734
DOI: 10.1039/D4CP02974G, Paper
Md. Tarekuzzaman, Mohammad Hasin Ishraq, Md. Shahazan Parves, M. A. Rayhan, Sohail Ahmad, Md. Rasheduzzaman, K A Al Mamun, M. Moazzam Hossen, Md. Zahid Hasan
Crystal structure of KGeCl3 and the design configuration of the KGeCl3-based PSC.
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Machine-learning-accelerated structure prediction of PtSnO nanoclusters under working conditions

Phys. Chem. Chem. Phys., 2024, 26,27624-27632
DOI: 10.1039/D4CP03769C, Paper
Fanke Zeng, Wanglai Cen
Credible property calculations based on the structure prediction of multi-component catalyst clusters under working conditions via a machine-learning-accelerated genetic algorithm and ab initio thermodynamics approach.
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Hydrogen bond network structures of protonated 2,2,2-trifluoroethanol/ethanol mixed clusters probed by infrared spectroscopy combined with a deep-learning structure sampling approach: the origin of the linear type network preference in protonated fluoroal

Phys. Chem. Chem. Phys., 2024, 26,27751-27762
DOI: 10.1039/D4CP03534H, Paper
Po-Jen Hsu, Atsuya Mizuide, Jer-Lai Kuo, Asuka Fujii
Infrared spectroscopy combined with a deep-learning structure sampling approach reveals the origin of the unusual structure preference in protonated fluorinated alcohol clusters.
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Simulated conformality of atomic layer deposition in lateral channels: the impact of the Knudsen number on the saturation profile characteristics

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP00131A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Christine Gonsalves, Jorge A. Velasco, Jihong Yim, Jänis Järvilehto, Ville Vuorinen, Riikka L. Puurunen
Systematic analysis of saturation profile characteristics allowed development of an extended slope method that relates the slope of the adsorption front to the sticking coefficient for any Knudsen number.
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Hydrogen tunneling with an atypically small KIE measured in the mediated decomposition of the Co(CH3COOH)+ complex

Phys. Chem. Chem. Phys., 2024, 26,27741-27750
DOI: 10.1039/D4CP02722A, Paper
Open Access
Simon U. Okafor, Gabriele Pinto, Michael Brdecka, William Smith, Tucker W. R. Lewis, Michael Gutierrez, Darrin J. Bellert
Rate-limiting hydrogen/deuterium tunneling rate constants are measured in the photon initiated decay of Co(CH3COOH)+ with small KIE values.
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Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03825H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Alexander Schäfer, Samuele Giannini, Dmitry Strelnikov, Theresa Mohr, Fabrizio Santoro, Javier Cerezo, Manfred M. Kappes
Theoretical and experimental spectroscopy of crystal violet resolves the influence of temperature and symmetry breaking on absorption properties in different environments.
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Exploring the electrochemical properties and lithium insertion mechanisms in akaganeite (β-FeOOH) – a combined DFT/experimental study

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02947J, Paper
Paulo Roberto Garcês Gonçalves, Heitor Avelino De Abreu, Luciano Andrey Montoro, Gabriela Cordeiro Silva, Angela de Mello Ferreira, Hélio Anderson Duarte
Unveiling the unique charge/discharge characteristics of akaganeite offers valuable insights into electron transfer mechanisms through experimental and DFT calculations.
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20-electron exohedral alkaline-earth-metallofullerenes M(C60)3 (M = Ca, Sr, Ba)

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03404J, Paper
Feiyang Huang, Jian Zhou, Tao Yang
Electron counting rules are powerful for determination of chemically stable complexes for various elemental groups. While the 18-electron rule has been established for transition metals, recent experiments have discovered that...
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Prediction of high-temperature superconductors at ambient pressure with diamond-like structures: B2CX (X = N, P)

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03755C, Paper
Yi Wan, Ying-Jie Chen, Shu-Xiang Qiao, Kai-Yue Jiang, Guo-Hua Liu, Na Jiao, Ping Zhang, Hong-Yan Lu
We predict B2CX (X = N, P) are standard phonon-mediated superconductors with Tc = 44.3–46.1 K, higher than most diamond-like superconductors. Coupling between metallic σ electrons and softened E phonons contributes greatly to their superconductivity.
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Insight into the potential of M–NbS2 (M = Pd, Ti and V) monolayers as anode materials for alkali ion (Li/Na/K) batteries

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03744H, Paper
Meixia Xiao, Shuling Xu, Haiyang Song, Zhifei Sun, Jiaying Bi, Beibei Xiao
First-principles calculations were conducted to explore the effects of Pd, Ti and V doping on the performance of NbS2 monolayers as electrode materials for alkali ion batteries.
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A hydrogen passivation strategy for the electrocatalytic chlorine evolution reaction on metal–organic frameworks: a theoretical insight

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03153A, Paper
Jiake Fan, Lei Yang, Hui Li, Zijian Sun, Mengyun Mei, Weihua Zhu
The chlorine evolution reaction (CER) is a crucial solution for treating chlorine-containing wastewater, a type of wastewater generated during the chemical production process.
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High Chern number quantum anomalous Hall effect in monolayer Co3X3SSe (X = Sn, Pb) kagomes

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03625E, Paper
Xiang Yin, Li Deng, Fei Wang, Yanzhao Wu, Junwei Tong, Xianmin Zhang
Two-dimensional stable kagome ferromagnets Co3Sn3SSe and Co3Pb3SSe can realize the QAHE with a high Chern number of |C| = 3, and present intriguing possibilities for advancing intrinsic high Chern number QAH devices.
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Structural Distortion Driven Polaronic Transport and Table-like Magnetocaloric Properties in Polycrystalline Tb0.7Sr0.3MnO3 compound

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03760J, Paper
Dipak Mazumdar, I. Das, Kalipada Das
This research mainly explores the structural, magnetic, magneto-transport, and magnetocaloric properties of the polycrystalline Tb0.7Sr0.3MnO3 compound. The results reveal a significant modification of the compound’s ground state with increasing the...
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Translational diffusion, molecular brightness, and energy transfer analysis of mEGFP-linker-mScarlet–I crowding biosensor using fluorescence correlation spectroscopy

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03850A, Paper
Sarah A. Mersch, Clint McCue, Alexandros Aristidou, Erin D. Sheets, Arnold J. Boersma, Ahmed A. Heikal
Fluorescence correlation spectroscopy (FCS) is used for molecular brightness, Förster resonance energy transfer (FRET), protein–protein interactions, diffusion, and size analysis of mEGFP-linker-mScarlet–I constructs in crowded environment.
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Deciphering the spectroscopic and thermodynamic aspects of binding of biologically important antioxidants with the alkali induced state of human serum albumin

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03636K, Paper
Anjali Maheshwari, Nand Kishore
Protein–ligand interactions are crucial for developing and identifying novel therapeutic targets.
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Improved perovskite crystallization by antisolvent engineering in tin-perovskite photovoltaics

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02655A, Paper
Xin Zhang, Yu Liu, Xinyao Chen, Chunqian Zhang, Jigang Wang, Jin Cheng, Junming Li
By adding an appropriate proportion of DMS to the anti-solvent, the DMSO remaining in the tin-based perovskite films can be effectively extracted, resulting in films with better crystallography, and the devices have lower trap densities.
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Breaking the Brownian Barrier: Models and Manifestations of Molecular Diffusion in Complex Fluids

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP01813C, Perspective
H. Srinivasan, Veerendra Kumar Sharma, Subhankur Mitra
Over a century ago, Einstein formulated a precise mathematical model for describing Brownian motion. While this model adequately explains the diffusion of micron-sized particles in fluids, its limitations become apparent...
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Identifying Winner-Takes-All Emergence in Random Nanowire Networks: an Inverse Problem

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03242J, Paper
Fábio Rangel Duarte, shardul mukim, Mauro Ferreira, Claudia Gomes da Rocha
Random nanowire networks (NWNs) are interconnects that enable the integration of nanoscopic building blocks (the nanowires) in a disorganized fashion, enabling the study of complex emergent phenomena in nanomaterials and...
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A walk down the queer side of Varanasi | Debashish Paul’s first solo exhibition

The artist explores his identity, and highlights self-doubt, desire and societal dissonance through performance images, sketches and sculptures




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Anna Samuel’s hyper reality cakes come in the form of biryanis and kappa-meen curry

Anna’s cakes are customised to suit client’s tastes and each is a piece of edible art




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Breaking barriers: Display by neurodiverse artists at Salar Jung Museum in Hyderabad

The Art Sanctuary presents a curated art show created by neurodiverse individuals, for the first time in Hyderabad




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A documentary, new launches mark Hindustan Trading Company’s 50th anniversary

Hindustan Trading Company turns 50 this week with new products, and a documentary on late founder PN Venketakrishnan



  • Life & Style

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Say ‘I do’ at these off-beat wedding venues like vineyards, trains, and museums

From heritage mansions to sunny beaches, we find examples of unique locations where you can tie the knot



  • Life & Style

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How Jodhpur RIFF has shrunk the music world

The annual festival held at Mehrangarh Fort presents music beyond classifications and divides.




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Sanjeev Abhyankar’s Deepavali concert in Hyderabad

The musical concert at 6am will have a combination of classical and devotional songs




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Thoughtfully curated Deepavali hamper guide for Visakhapatnam

These Visakhapatnam-based enterprises have curated sustainable Deepavali hampers spreading festive joy with handmade gifts



  • Life & Style

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Kochi-based brand Papier Culture revives the ancient art of paper making

Papier Culture, founded by Hilonee K Shah, makes sustainable products with recycled paper



  • Life & Style

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Children across India to fold origami paper cranes in memory of Sadako Sasaki

The Cuckoo Movement for Children and the Peace of Paper studio invite children to fold origami paper cranes in memory of Sadako Sasaki, whose death anniversary falls on October 25




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Singer Dana Razik and her family feature in an original musical production, Rooh-E-Mardem

Dana Razik and her family unite for an original music video Rooh-E-Mardem



  • Life & Style

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Planning to order bakshanams for Deepavali? Chennai’s caterers have you covered

This Deepavali, Chennai’s caterers are turning wedding halls into massive festival kitchens, complete with free snacks and courier collection centres. We drop in for adirasam and details




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Check out Amritsar’s experimental Asian diner with sushi and omakase counters — Shiso




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Building skinny homes

From Tokyo to Toronto to New Delhi and Thrissur, the challenges of a narrow plot have paved the way for architectural innovations, both in India and globally



  • Homes and gardens

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Chennai’s House of Thinai launches travelling exhibition linking Madras checks and generative art technology

Alongside championing jamakalam and Lambadi embroidery on furniture, House of Thinai’s latest initiative links Madras checks and generative art technology



  • Life & Style

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Musician Jassie Gift on his two-decade-long career, his latest collaboration ‘Thakthom’ and more 

The Afro hip-hop song ‘Thakthom’ is a collaboration with Ireland-based Malayali musicians and influencers Reyan and Melvin




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Indian contemporary art on show at Lalit Kala Akademi in Chennai

From bright expressionism to figurative sculptures, diverse work of five Indian contemporary artists populate Lalit Kala Akademi




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Evoke x Kaash | Yoruba crowns in Langford Town  

At London store Evoke’s pop-up in Bengaluru, curated collectibles underline the commonalities between the crafts of India and Africa



  • Homes and gardens

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Why Generation Now must know Charles Correa

Architect Charles Correa’s work, his larger social vision, and his commitment to a modern India with housing is always relevant



  • Homes and gardens

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The Lab in Goa spotlights cocktails with stories and local culture

Tucked into a new boutique hotel, Amaraanth, The Lab is Goa’s latest cocktail address. Try red amaraanth, a local curry and sarsaparilla in cocktails with meaningful backstories that spotlight the local culture




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From Lollapalooza to the Cherry Blossom festival, here is a list of India’s top music festivals to look forward to

Missed out on the Coldplay tickets? There’s lots more coming up, starting with Maroon 5 in December. Plan for the months ahead with our line-up of the top festivals that promise thrilling performances and immersive experiences




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Neeti Gokhalay Kheny on being part of the 1000 Vases show in Paris

Two of Bengaluru-based artist’s vases from her Celebrating Coral collection were part of the 1000 Vases show held in Paris



  • Life & Style

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Dark and disturbing: ‘Killer Joe’ by Tracy Letss to be staged in Hyderabad

Directed by Sandeep Tadi, the play is a collaboration between Storyboard Productions and Preksha Theatre Company




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World Kindness Day celebration brings community art to Chennai

Chennai celebrates kindness through a 20-feet-wide canvas decorated and painted over three days by more than 1,200 people A celebration of kindness brings Chennai together through community art, shared traditions and meaningful gestures



  • Life & Style

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Rapper Iykki Berry’s new single celebrates Tamil pride and Thanjavur

Rapper and singer-songwriter Iykki Berry’s new single is a nod to Thanjavur, her hometown




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From balanced meal bowls to DIY kits for parties, these Chennai brands are putting a spin on eating healthy