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Insights of the peroxychloroformyl radical ClC(O)OO via microwave spectrum

Phys. Chem. Chem. Phys., 2024, 26,27669-27676
DOI: 10.1039/D4CP03506B, Paper
Ching-Hua Chang, Wen Chao, Cheng-Han Tsai, Mitchio Okumura, Frank A. F. Winiberg, Yasuki Endo
Pure rotational spectra of trans-ClC(O)O2 (left) and cis-ClC(O)O2 (right), and the potential energy curve connecting the two conformers. The energy diagram and the observed transitions for the trans-ClC(O)O2 are also shown.
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Structural insights into carboxylic-acid based DES across H-bond donor ratios: impact of CL&Pol refinement

Phys. Chem. Chem. Phys., 2024, 26,27486-27497
DOI: 10.1039/D4CP03233K, Paper
Jon Zubeltzu, Elixabete Rezabal
Improved force field parameters refine H-bond network and long-range structure in carboxylic-acid-based deep eutectic solvents.
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On the peculiar EPR spectra of P1 centers at high (12–20 T) magnetic fields

Phys. Chem. Chem. Phys., 2024, 26,27633-27647
DOI: 10.1039/D4CP03055A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Orit Nir-Arad, Eyal Laster, Mais Daksi, Nurit Manukovsky, Ilia Kaminker
State mixing at a high magnetic field in the well-studied nitrogen substitutions in diamonds leads to unique electron spin spectral properties.
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Direct capture of the alanine ghost in alanine-doped triglycine sulfate crystals

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03839H, Communication
Open Access
Yukana Terasawa, Toshimichi Shibue, Toru Asahi
15 N-labelled L-alanine in TGS crystals was directly observed by solid 15N-NMR, with two chemical states of alanine doped into GI being reported and a new crystal structure model proposed.
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High-level ab initio characterization of the OH + CH3NH2 reaction

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP01470G, Paper
Open Access
Balázs Gruber, Gábor Czakó
High-level ab initio computations considering post-CCSD(T), core correlation, scalar relativistic, and spin–orbit effects reveal the stationary-point properties and rate coefficients of the OH + CH3NH2 reaction.
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Insight into physico-chemical properties of oxalatoborate-based ionic liquids through combined experimental-theoretical characterization

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02296C, Paper
Open Access
Matteo Palluzzi, Giorgia Mannucci, Akiko Tsurumaki, Matteo Busato, Maria Assunta Navarra, Paola D’Angelo
An anion–anion attraction was inferred from the thermal behavior of oxalate-borate ionic liquids and confirmed through computational methods.
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Mechanistic Insights into CO2 Activation on Pristine, Vacancy-containing and Doped Goldene: A Single-Atom Layer of Gold

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03087G, Paper
Kamal Kumar, Nora Henriette De Leeuw, Jost Adam, Abhishek Kumar Mishra
Goldene, a one-atom-thick gold sheet, is an emerging graphene-like flat 2-dimensional material. In this study, the geometrical and electronic properties, as well as CO2 adsorption characteristics, of the pristine,...
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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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Ballistic transport in sub-10 nm monolayer InAs transistors for high-performance applications

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03789H, Paper
Tianruo Xie, Yuliang Mao
The modelling of double gate MOSFETs of monolayer InAsH2 is shown in (a). The corresponding transfer characteristics are shown for (b) n-type and (c) p-type, in which various doping concentrations are chosen.
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Theoretical Insights into the Vibrational Spectra and Chemical Bonding of Ln(III) Complexes with a Tripodal N4O3 Ligand Along the Lanthanide Series

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03677H, Paper
Francielle C Machado, Mateus M Quintano, Carlos Vital dos Santos Junior, Albano Carneiro Neto, Elfi Kraka, Ricardo Luiz Longo, Renaldo Tenorio Moura Jr.
{This study provides new theoretical insights into the vibrational spectra of Ln(III) complexes, along the lanthanide series by utilizing the LModeAGen protocol and integrating cutting-edge topological ideas. It provides a...
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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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Electronic Relaxation Pathways in Thio-Acridone and Thio-Coumarin: Two Heavy-Atom-Free Photosensitizers Absorbing Visible Light

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03720K, Paper
Open Access
Chris Acquah, Sean J. Hoehn, Sarah E. Krul, Steffen Jockusch, Shudan Yang, Sourav Kanti Seth, Eric Lee, Han Xiao, Carlos E. Crespo-Hernández
Heavy-atom-free photosensitizers (HAF-PSs) have emerged as a new class of photosensitizers aiming to broaden their applicability and versatility across various fields of the photodynamic therapy of cancers. The strategy involves...
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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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Investigating Ni nanoparticles on CeO2 for methane dissociation: a comparative study of theoretical calculations and experimental insights

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP01324G, Paper
Takaya Fujisaki, Yuta Tsuji, Phuc Hoan Tu, Tin Chanh Duc Doan, David S. Rivera Rocabado, Aleksandar Tsekov Staykov, Keiji Yashiro, Yusuke Shiratori
CeO2 supported with Ni nanoparticles has emerged as a promising catalyst for enhancing the efficiency of dry reforming of methane (DRM) reaction.
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Structure and dynamics of aqueous VOSO4 solutions in conventional flow through cell design: a molecular dynamics simulation study

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02934H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Anwesa Karmakar
A theoretical model has been proposed to study the structure and dynamics of aqueous vanadyl sulfate (VOSO4) solution used in the conventional flow (CF) through cell design operating under varying thermodynamic conditions.
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A composite of pineapple leaf-derived porous carbon integrated with ZnCo-MOF for high-performance supercapacitors

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02882A, Paper
Xiaoxiao Ma, Yunfan Bai, Shuangli Chen, Zhixian He, Pingping Wu, Yabing Qi, Sijing Zhang
Pineapple leaf-derived biochar (PLB) served as a carrier for ZnCo-MOF in the preparation of ZnCo-MOF@PLB-800. The porous structure of PLB reduced ZnCo-MOF aggregation, enhancing electron transfer and the conductivity of the electrode material.
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Old Mahabalipuram Road, a late-night food haven for the young and old




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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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Festive decor trends highlight contemporary aesthetics and craftsmanship

Curating a home today goes beyond conventional decor. It is about telling a story through accents, blending nostalgia with contemporary aesthetics, and celebrating craftsmanship



  • 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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How Studio Saar’s The Third Space in Udaipur spotlights the power of community 

Drawing from Udaipur’s traditional havelis, The Third Space in Udaipur aims at being a space for locals to engage in a range of workshops and activities



  • Life & Style

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Eeshaan Kashyap for Sarita Handa | In the mood for ghungroo

Musical anklets, traditional blooms and an old textile motif are reimagined in this Eeshaan Kashyap for Sarita Handa collection



  • Homes and gardens

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Indie bands: The challenge of zeroing in on the right mix

Indie musicians fuse genres and tap into social media to capture their audience, but still struggle to record and release an album




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Owner’s Association rights




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Banjara Hills is much sought after for commercial and residential spaces

Your property-related queries answered by Karan Rathod of ‘K Valuations’, Begumpet



  • Q & A

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High triboelectrification and charge collection efficiency of direct current triboelectric nanogenerator achieved by tri-synergistic enhancement strategy

Energy Environ. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4EE03784G, Paper
Shuyan Xu, Jian Wang, Chuncai Shan, Kaixian Li, Huiyuan Wu, Gui Li, Shaoke Fu, Qionghua Zhao, Yi Xi, Chenguo Hu
Direct current triboelectric nanogenerator (DC-TENG) utilized air-breakdown effect to collect triboelectrification charges from dielectric tribo-layers, providing a new type of mechanical energy harvesting mode for TENGs, which has demonstrated its...
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Towards high performance and durable soft tactile actuators

Chem. Soc. Rev., 2024, 53,3485-3535
DOI: 10.1039/D3CS01017A, Review Article
Open Access
Matthew Wei Ming Tan, Hui Wang, Dace Gao, Peiwen Huang, Pooi See Lee
This review assesses diverse strategies to enhance the actuation performance and durability of soft tactile actuators, enabling optimal functionality in real-world conditions.
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Innovative, combinatorial and high-throughput approaches to degrader synthesis

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01127E, Tutorial Review
Rebecca Stevens, James D. F. Thompson, Julie C. L. Fournier, Glenn A. Burley, David J. Battersby, Afjal H. Miah
In this review we highlight how the synthesis of degraders has evolved in recent years, in particular the application of high-throughput chemistry and screening approaches such as D2B and DEL technologies to expedite discovery timelines.
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Protein misfolding and amyloid nucleation through liquid–liquid phase separation

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01065A, Review Article
Semanti Mukherjee, Manisha Poudyal, Kritika Dave, Pradeep Kadu, Samir K. Maji
Protein misfolding and amyloid aggregation, linked to neurodegenerative diseases, can result from liquid–liquid phase separation (LLPS) and a subsequent liquid-to-solid transition. This represents LLPS as a generic mechanism in amyloid nucleation.
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Squaramide-based receptors in anion supramolecular chemistry: insights into anion binding, sensing, transport and extraction

Chem. Soc. Rev., 2024, 53,3952-3975
DOI: 10.1039/D3CS01165H, Review Article
Open Access
Giacomo Picci, Riccardo Montis, Vito Lippolis, Claudia Caltagirone
Squaramides are a class of extremely versatile receptors for anion recognition, sensing, transport and extraction.
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Routes to high-performance layered oxide cathodes for sodium-ion batteries

Chem. Soc. Rev., 2024, 53,4230-4301
DOI: 10.1039/D3CS00929G, Review Article
Jingqiang Wang, Yan-Fang Zhu, Yu Su, Jun-Xu Guo, Shuangqiang Chen, Hua-Kun Liu, Shi-Xue Dou, Shu-Lei Chou, Yao Xiao
Various optimization strategies are reviewed and summarized to formulate design principles for layered oxide cathodes for sodium-ion batteries.
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Formula 4 night street car race | Madras High Court waves green flag

Justices R. Mahadevan and Mohammed Shaffiq refrain from stalling the conduct of the race, they permit TN government to conduct the race with certain conditions




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Motorsport FMSCI | Triple delight for Jaden and Abhay




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Japan Grand Prix | Max Verstappen hopes to use Japan’s high-speed Suzuka circuit to reassert his dominance in Formula 1

Max Verstappen won his second Formula 1 season title at Suzuka in 2022, and he dominated in Japan last season as he won his third straight title.




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Max Verstappen wins 3rd straight Canadian Grand Prix for 60th Formula 1 victory

Verstappen finished more than three seconds ahead of McLaren's Lando Norris in the 70-lap race




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Hamilton ends win drought with record ninth British victory

Mercedes driver’s last win before Silverstone was in Saudi Arabia on Dec. 5, 2021, and Sunday was a record-extending 104th of his career




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Chennai gears up for India’s first-ever night street race

The Government of Tamil Nadu, through the Sports Development Authority of Tamil Nadu (SDAT), will conduct the second round of the Indian Racing Festival on August 31 and September 1 at the 3.5-km Chennai Formula Racing Circuit




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Indian racing festival 2024 hits Chennai with Formula 4 and India’s first night race

Experience the thrill of high-octane racing as the Indian Racing Festival 2024 revs up Chennai 




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All you need to know about Chennai’s night street race

The 3.5-km Chennai Formula Racing Circuit, with 19 corners, goes around the Island Grounds with the start-finish straight on the beach road




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Chennai’s night street race a shot in the arm for Indian motorsports

The initiative reflects Tamil Nadu’s commitment to cultivate a vibrant racing culture and inspire the NextGen racing drivers, engineers and race mechanics




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Safety concerns dominate chaotic opening day of Chennai night street race

The opening day of the weekend turned out to be a damp squib for the fans as the organisers couldn’t get the circuit ready in time for the action to start




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Indian Racing Festival | Chennai dazzles under lights with action-packed races

The on-track drama was exciting, and barring a minor incident during the first Indian Racing League race, the event passed off without hiccups.




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Can Lando Norris whiz past Max Verstappen in an ever-tightening F1 title race?

The drivers’ championship appeared a foregone conclusion at one stage this season, but Norris and McLaren have changed the complexion of the title picture. While Verstappen still enjoys a 52-point lead, Norris is the in-form driver — the final run of races could well be the making of him




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Everything you need to know about India’s first high-voltage e-motorcycle Raptee.HV T30

This Chennai-based startup has introduced the country’s first high-voltage electric two-wheeler, a machine that merges electric car technology with motorcycle performance




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Back from the brink: India hockey player Sukhjeet Singh eyes dream Olympic debut

Sukhjeet Singh overcame the "toughest" phase of his life to earn a spot in the Olympic-bound Indian men's hockey squad and is determined to prove his worth.




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Paris Olympics 2024: I watch clips of my goals to boost confidence ahead of debut, says Sukhjeet Singh

Sukhjeet Singh is one of the five debutants — Sanjay, Abhishek, Rajkumar Pal, and Jarmanpreet Singh — who have joined the 11 members of Tokyo Olympic bronze medalist team for the Paris Games.




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Harmanpreet Singh and Craig Fulton interview: ‘As a team we have seen every situation, handled it together’

India hockey captain Harmanpreet and coach Craig Fulton talk about the dynamics within the set-up, the learnings from a poor World Cup, a rise the rankings and what an Olympic medal would mean to them and to the game that once people thronged to watch




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Paris Olympics: Men’s hockey team peaking at right time, faces Great Britain in quarterfinals

Harmanpreet Singh-led outfit has lifted its game steadily in the Olympics and is likely to throw a different challenge against Great Britain