RSC – Phys. Chem. Chem. Phys. latest articles- Composition and concentration gradient dependent catanionic vesicle preparation of long-chain ionic liquid and its interaction study with model protein: An HSA case study Tháng 12 25, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP02915E, PaperSoumen Ghosh, Raju Sardar, Soumili DuttaSoft nanosystems (micelles, vesicles, reverse micelles, etc.) are highly significant in the biomedical field as a delivery system of biomolecules and drugs because of their easily modulable shape. In recent...The content of this RSS Feed (c) The Royal Society of ChemistrySoumen Ghosh
- Structure-Function Correlations in Graphene Screen-Printed Electrodes: Capacitive and Faradaic Behaviour Tháng 12 24, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03833B, PaperTharinda Kasemphong, Monchai Jitvisate, Chanida Jakkrawhad, Wichayaporn Kamsong, Chanpen Karuwan, Pachanuporn Sunon, Supinya Nijpanich, Phanawan Whangdee, Theeranun Siritanon, Kamonwad NgamchueaHow the origin of graphene influences interfacial behaviour once it is formulated and screen-printed has been unclear. Herein, we fabricate four graphene screen-printed electrodes (commercial, combustion-derived, exfoliated, and […]Tharinda Kasemphong
- Analytically optimized noise redistribution in pulse dipolar EPR spectroscopy Tháng 12 24, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04144A, PaperVyacheslav M. Nekrasov, Anna G. Matveeva, Victoria N. Syryamina, Semyon Andreevich Agarkin, Michael K. BowmanNon-uniform data acquisition protocols are derived analytically for optimizing the measurement of nanometer distance information by pulse dipolar spectroscopy methods, such as DEER (Double Electron Electron Resonance). The random measurement...The content of this […]Vyacheslav M. Nekrasov
- Effect of protective mutation on structure and dynamics of APOE: a molecular dynamics simulation study Tháng 12 24, 2025Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP03829D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Newton A. Ihoeghian, Usman L. Abass, Ibrahim Imam, Qing ShaoProtective mutations modulate APOE functional domain flexibility and exposure to limit aggregation.To cite this article before page numbers are assigned, use the DOI […]Newton A. Ihoeghian
- Molecular Engineering of Antiaromatic Orangarin-Based Sensitizers for High-Performance Dye-Sensitized Solar Cell Application Tháng 12 23, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03388H, PaperSwati Singh Rajput, Samarth Razdan, Tejendra Banana, Neelam Chandravanshi, Md Mehboob AlamTo meet the increasing energy demand, several molecules have been explored as dyes for dye-sensitized solar cell (DSSC) application. However, such designed cells are yet to attain a solar-power conversion...The content of this RSS Feed (c) […]Swati Singh Rajput
- LMProtein: a protein language model based framework for protein structural property prediction Tháng 12 23, 2025Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP01861G, PaperYongna Yuan, Hui Luo, Yaojie TianProtein structural properties are predicted by encoding sequences with pretrained ESM-2 embeddings, which are used with CNN–LSTM and MLP for different structural and landscape predictions.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of […]Yongna Yuan
- The Limit of the Current Aromaticity Concept Tháng 12 23, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03929K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Amnon Stanger, Jordi Poater, Yirong MoWe have examined aromatic properties of a series of fifteen cyclic 2π-electron charged and neutral systems composed of second-, third-, and fourth-row elements. Three different aromaticity criteria […]Amnon Stanger
- Cooperative Many-Body Interactions and Spectroscopic Signatures in (HCN)n and (HNC)n Clusters up to n=15. Tháng 12 23, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03273C, PaperLAZUMLA TSHERING SHERPA, Anakuthil Anoop, Maya Khatun, Sunanda PandaWe present a comprehensive computational investigation of hydrogen cyanide (HCN) and its higherenergy isomer, hydrogen isocyanide (HNC) clusters, from dimers to 15-mers. Clusters were generated using the PyAR automated build-up...The content of this RSS Feed (c) The Royal Society […]LAZUMLA TSHERING SHERPA
- Monomer and Dimer Pathways of Earth-abundant Manganese Tricarbonyl Pre-catalysts for CO2 Reduction Studied by Time-resolved IR Spectroscopy Tháng 12 23, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03590B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Luka Tatarashvili, Noah Von Fellenberg, Kerstin Oppelt, Peter HammThe activation mechanism of Mn-based molecular catalysts is reported in a three-component system (photosensitizer, electron donor, catalyst), investigated by time-resolved infrared spectroscopy. In total […]Luka Tatarashvili
- The thermodynamic origin for the structural transition pathway in metal oxide nanoparticles under acoustic shock excitation states Tháng 12 23, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04180E, CommunicationA. Sivakumar, Lidong Dai, Sahaya Jude Dhas SathiyadhasThe nature of the phase transition pathways in solids under acoustic shock conditions is largely unknown. Herein, we critically examine the results of the structural transition of 17 metal oxide...The content of this RSS Feed (c) The Royal Society of […]A. Sivakumar
- Effect of Confinement on PH 3 and OH + 3 Inversion † Tháng 12 23, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03624K, PaperBrijesh Kumar Mishra, Kaustav Mehta, Shreya Chidambaram, Netra Krishna, Sivakumar SrinivasanEncapsulating molecules in nanocages such as C 60 provides a unique opportunity to probe how spatial confinement alters structure and dynamics. We examine umbrella inversion in hydronium (OH + 3...The content of this RSS Feed (c) The […]Brijesh Kumar Mishra
- Enhancing the magnetic properties (Curie temperature and magnetic anisotropy energy) of a 2D MXene (Ca 2 C) by stacking a vdW heterostructure with silicene. † Tháng 12 23, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03197D, PaperJonas Anversa, Rogerio Baierle, Paulo PiquiniFirst-principles calculations within the spin polarized density functional theory (SP-DFT) were used to study the stability, electronic and magnetic properties of a vdW heterostructure by stacking a MXene (Ca 2...The content of this RSS Feed (c) The Royal Society of ChemistryJonas Anversa
- Theoretical Study Photoelectric Properties of Lead-free Ca₂In₄X₈ (X = S, Se, Te) via Density Functional Theory Tháng 12 23, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03182F, PaperWenbin Zhu, Beitong Cheng, Changcheng Chen, Shuaikang Zhang, Kunzhuo Zhao, Gang Liu, Yue Cheng, Zhengjun Wang, Xinhui Zhang, XiaoNing Guan, Chunling Zhang, Jiangzhou Xie, Yaxin Xu, Pengfei LuIn recent years, perovskite materials have garnered significant attention in optoelectronic devices and solar cells due to their excellent optoelectronic […]Wenbin Zhu
- Superconductivity in topological Ψ-graphene Tháng 12 22, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04499E, PaperXiaolong Yu, Zhongyan Lu, Zhaopeng Guo, Kang XiaTypical Dirac cones in graphene induce absence of electronic density around Fermi energy level (Ef), prohibiting intrinsic superconductivity. Here we probe to explore superior superconducting properties by involvements of pentagonal...The content of this RSS Feed (c) The Royal Society of […]Xiaolong Yu
- High-resolution spectroscopy of [H,C,N]+ : III. Infrared A2Σ + ← X2Π electronic transition of HCN+ Tháng 12 22, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP04255K, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Samuel J. P. Marlton, Philipp Schmid, Weslley Guilherme Dias de Paiva Silva, Oskar Asvany, Stephan SchlemmerThe A2Σ+ ← X2Π electronic transition of the fundamental HCN + ion is reported. The spectrum exhibits […]Samuel J. P. Marlton
- Unexpected Dynamics of Peptoid-Conjugated Dyad System: Ultrafast Photoinduced Electron Transfer in Off-facial Arrangement Tháng 12 22, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03671B, PaperSuhyun Park, Jinyoung Oh, Soohwan Kim, Taehyung Jang, Yoonsoo Pang, Jae Yoon Shin, Jiwon Seo, Hohjai LeePeptoids (oligo-N-substituted glycines) offer a promising scaffold for photophysical platforms enabling precise control over the geometry between electron acceptor (A) and donor (D) moieties. In this study, we synthesized two...The content […]Suhyun Park
- Suitability of the ReaxFF potential for MD modeling of lithium across low and high temperatures Tháng 12 22, 2025Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP03414K, PaperP. S. Krstic, S. Dwivedi, A. C. T. van Duin, B. E. KoelReaxFF is reliable for lithium coatings for T < 800 K, but at higher temperatures apply with caution.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of […]P. S. Krstic
- Perturbation-assisted observation of the lowest vibrational level of the b3Π0 state of ultracold LiK molecules Tháng 12 22, 2025Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP04016G, PaperAnbang Yang, Xiaoyu Nie, Hao Lin Yu, Yiming Liu, Victor Avalos, Canming He, Jacek Kłos, Svetlana Kotochigova, Kai DieckmannObservation of the b3Π, v = 0 ground state of ultracold LiK polar molecules enabling long coherence times for quantum applications.To cite this article before page numbers are assigned, […]Anbang Yang
- Controlling the phase behavior and ion mobility of trialkylammonium-based protic ionic liquids: The role of asymmetry Tháng 12 22, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03993B, PaperTatiana V. Zhalnina, Ekaterina V. Tatarintseva, Sergey Aleksandrovich Prikhod'ko, Alexander G. Stepanov, Alexander E. Khudozhitkov, Daniil I. Kolokolov, Ralf LudwigThe size, shape, and symmetry of cations and anions in ionic liquids determine the adjustable properties of these industrially relevant liquid salts. In this work, we show how […]Tatiana V. Zhalnina
- Molecular Symmetry Determines Excited State Lifetime in Aqueous Fumarate and Maleate Tháng 12 22, 2025Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03064A, PaperJan ThOgersen, Mikkel Bregnhøj, Tobias Weidner, Frank JensenMolecular symmetry can influence the photochemical fate of molecules by controlling excited-state lifetimes and, consequently, the time window available for secondary reactions. We have investigated the photodynamics of aqueous fumarate...The content of this RSS Feed (c) The Royal Society of […]Jan ThOgersen
- Composition and concentration gradient dependent catanionic vesicle preparation of long-chain ionic liquid and its interaction study with model protein: An HSA case study Tháng 12 25, 2025
