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Transformation of starphenes into amorphous graphene nanoribbons with attached carbon chains under electron irradiation Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-06-04
Alexander S. Sinitsa, Yulia G. Polynskaya, Yegor M. Kedalo, Andrey A. Knizhnik, Andrey M. Popov -
Mechanistic insights into the thermodynamics and kinetics underlying the reductive decomposition of fluoroethylene and difluoroethylene carbonates for SEI formation in LIBs Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-06-04
Ruru Song, Tairan Wang, Yiyang Pan, Cuili Zhang, Lang Wang, Shengbo Lu, Tracy Chenmin Liu, Shihan Qi, Weiguo Huang, Jingjing Liu, Guannan Zhu, Jun Fan -
Barkhausen noise in the columnar hexagonal organic ferroelectric BTA Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-06-02
Andrey Alekseevich Butkevich, Fabian T. Thome, Toni Seiler, Marcel Hecker, Martijn Kemerink -
Structural stability of chromophore-grafted Ubiquitin mutants in vacuum Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-30
Emiliano De Santis, Thomas Mandl, Jocky C. K. Kung, Khon Huynh, Steven Daly, Lorenza A. D'Alessandro, Luke MacAleese, Charlotte Uetrecht, Erik G. Marklund, Carl Caleman -
Rapid unimolecular reactions of acyl peroxy radicals: extending the structure–activity relationships Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-06-03
Lauri Franzon, Anni Savolainen, Siddharth Iyer, Matti Rissanen, Theo Kurtén -
Nuclear quantum effects in two-hydrogen intermediates on graphene-embedded transition metal atoms Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-06-03
Erxun Han, Wei Fang, Ji Chen -
Reconstitution of nanopores in bilayers of diblock and triblock copolymers Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-06-02
Hiroaki Kihara, Mikiyoshi Sato, Ryuji Kawano -
Inter-layer superlubricity in a carbon nanotube array induced by high-temperature annealing Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-06-02
Yunlong Fan, Yushun Zhao, Kaiyi Zheng, Yingxia He, Chao Sui, Xiaodong He, Chao Wang -
A study on the role of moderate optical band gap energy in dielectric properties of NiFe2O4 nanoparticles by Ce ion doping for electronic device applications: the effect of doping concentration Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-30
Abdulrahman I. Alharthi, Awais Khalid, Pervaiz Ahmad, Arshad Ali, Shahroz Saleem, Muhammad Adnan Munir -
Semicoordinate and halogen bonding to group 10 and group 8 metals Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-27
Steve Scheiner -
VaporFit: an open-source software for accurate atmospheric correction of FTIR spectra Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-30
Przemysław Pastwa, Piotr Bruździak -
Outstanding Reviewers for Physical Chemistry Chemical Physics in 2024 Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-29
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Probing ultrafast heat transfer mechanisms in plasmonic gold nanostructures: FEM analysis of core–shell configurations under femtosecond laser irradiation Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-29
Joshua Fernandes, Myoung-Jin Kim -
An embedding scheme for constraint-based orbital-optimized excitations in molecular and bulk environments Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-29
Yannick Lemke, Jörg Kussmann, Christian Ochsenfeld -
The Poisson equation and polarization charge density in the concentration gradient of a diffusing electrolyte Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-29
Gerald S. Manning -
Machine learning-assisted design of the molecular structure of p-phenylenediamine antioxidants Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-28
Zongya Wu, Shuai Sun, Chaokun Huang, Li Zhou, Yanlong Luo, Xiujuan Wang -
A comprehensive statistical approach to identify correct types of cross-peaks based on their symmetric feature Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-27
Linchen Xie, Anqi He, Limin Yang, Yukihiro Ozaki, Isao Noda, Yizhuang Xu, Kun Huang -
Correlations of surface tension for mixtures of n-alkanes as a function of the composition: applicability and performance analysis of existing models Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-28
Ángel Mulero, Ariel Hernández, Virginia Vadillo-Rodríguez, Isidro Cachadiña -
Aggregation-induced emission mechanism of styrene derivative: a theoretical study Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-28
Aarzoo, Kenichiro Saita, Masato Kobayashi, Takao Tsuneda, Tetsuya Taketsugu, Ram Kinkar Roy -
First-principles investigation of a two-dimensional magnesium carbide monolayer: tunable bandgap, light carriers, and strain-induced topological and semiconductor-to-metal transitions Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-28
Mosayeb Naseri, Shahram Yalameha, Sergey Gusarov -
First principles prediction of wavelength-dependent isomerization quantum yields of a second-generation molecular nanomotor Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-28
Jesús Lucia-Tamudo, Michelle Menkel-Lantz, Enrico Tapavicza -
Cooperative adsorption performance of topological nodal surface fermions and excess electrons in a three-dimensional topological electride Ba3CrN3 Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-27
Zhizuo Liu, Ying Liu, Zihan Li, Xuefang Dai, Xiaoming Zhang, Guodong Liu -
Multicolor luminescence of supramolecular compounds based on mixed Dy–lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-27
Mariana I. Rakhmanova, Taisiya S. Sukhikh, Irina V. Andrienko, Ekaterina A. Kovalenko -
Influence of imide side-chain functionality in the doping characteristics of naphthalenediimide derivatives as electron transport materials Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-27
Wai Kin Yiu, Lewis Mackenzie, Dylan Wilkinson, Marcin Giza, Benjamin Vella, Michele Cariello, Stephen Sproules, Graeme Cooke, Pablo Docampo -
Probing intermediate folding patterns determined the carbon skeleton construction mechanism of cyathane diterpene Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-27
Kangwei Xu, Zhekai Xie, Xu Kang, Ruibo Wu -
Effect of heteroatom incorporation on electronic communication in metal chalcogenide nanoclusters Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-27
Shana Havenridge, Xilai Li, Julia Laskin, Cong Liu -
Photophysics of resveratrol derivatives for singlet oxygen formation Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-27
Mariana Yoshinaga, Josene M. Toldo, Willian R. Rocha, Mario Barbatti -
The spectrum from van der Waals to donor–acceptor bonding Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-27
Daniela Rodrigues Silva, Lucas de Azevedo Santos, Matthijs A. J. G. Koning, Célia Fonseca Guerra, Trevor A. Hamlin -
Proton transfer in methylated G–C: nuclear quantum effects and water-assisted hopping Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-27
Juliana G. de Abrantes, Adam P. Motala, Ian Riddlestone, Louie Slocombe, Marco Sacchi -
Dynamical symmetries and selection rules in high-harmonic generation spectroscopy of nonlinear molecules Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-26
Marco Marchetta, Eleonora Luppi, Emanuele Coccia -
Insights into the surface of mesoporous nickel oxide and its interaction with oxygen and water Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-26
Sina Wrede, Qianhui Liu, Libo Chen, Luca D’Amario, Bin Cai, Mattia Scardamaglia, Zhi-Bin Zhang, Maria Hahlin, Haining Tian -
Sodium and potassium mixed effect on thermal conductivity in a borosilicate glass Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-26
Qing Zhang, Shenglin Chen, Yingting Cai, Chao Huang, Ang Qiao, Haizheng Tao -
Study on the effect of NH3 on the solubility of KCl and NH4Cl: a microscopic view Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-24
Ao Wang, Xiaofu Guo, Fei Li, Jie Liu, Mengdan Qiao, Zihan Xing, Yingying Zhao, Shizhao Wang, Panpan Zhang, Jingtao Bi, Jing Wang, Junsheng Yuan, Zhiyong Ji -
Theoretical investigation of F430-catalyzed dehalogenation of chloro-alkanes. A comprehensive DFT benchmark Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-23
Dominik Dusza, Mateusz Pokora, Li Ji, Piotr Paneth -
High resolution infrared spectroscopy of monodeutero-oxirane (c-C2H3DO) and analysis of two fundamentals between 820 and 950 cm−1 Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-23
Sieghard Albert, Ziqiu Chen, Karen Keppler, Gunther Wichmann, Martin Quack, Jürgen Stohner, Volker Schurig, Oliver Trapp -
Computational investigation of uracil dimers in water and the role of classical potentials Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-23
Tea Ostojić, Juraj Ovčar, Ali Hassanali, Luca Grisanti -
Mechanical behaviour of hydrogenated nanoporous palladium Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-23
Walter Schmidt, Thomas Castro, Eduardo Bringa, Max Ramírez, José Rogan, Felipe Valencia -
Understanding the impact of the molecular crowding environment on the glyoxal-mediated glycation of hemoglobin Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-23
Mangal Deep Burman, Sagar Bag, Souvik Ghosal, Sudipta Bhowmik -
Axial coordination engineering for single-atom catalysts in bifunctional oxidation of NO and mercury Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-21
Jianghao Cai, Tongao Yao, Haoqi Tian, Xiaotian Tang, Yutong Jiang, Ruiyang Shi, Binghui Zhou, Zhengyang Gao, Weijie Yang -
Tiling, propensity for planarity of the group-XIV pentatomic dihydrides XYZH2(X, Y, Z = C, Si, Ge), and beyond Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-20
A. J. C. Varandas -
Numerical analysis of homojunction design for high-efficiency Pb-free perovskite solar cells Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-22
Bita Farhadi, Yufei Shao, Dan Yang, Kai Wang, Shengzhong Liu -
Unraveling the low-energy conformers of neutral and charged mono- and di-saccharides with first-principles accuracy assisted by neural network potentials Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-22
Huu Trong Phan, Pei-Kang Tsou, Hieu Cao Dong, Po-Jen Hsu, Jer-Lai Kuo -
Retraction: Impact of Ce doping on the optoelectronic and structural properties of a CsPbIBr2 perovskite solar cell Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-22
M. I. Khan, Ali Mujtaba, Mahvish Fatima, Riadh Marzouki, Saddam Hussain, Tauseef AnwarRetraction of ‘Impact of Ce doping on the optoelectronic and structural properties of a CsPbIBr2 perovskite solar cell’ by M. I. Khan et al., Phys. Chem. Chem. Phys., 2024, 26, 4166–4173, https://doi.org/10.1039/D3CP05339C.
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Correction: An investigation of contributors to the spin exchange interactions in organic pentacene–radical dyads using quasi-degenerate perturbation theory Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-22
Philip S. Weiss, Amiel S. Paz, Claudia E. AvalosCorrection for ‘An investigation of contributors to the spin exchange interactions in organic pentacene–radical dyads using quasi-degenerate perturbation theory’ by Philip S. Weiss et al., Phys. Chem. Chem. Phys., 2025, 27, 8052–8076, https://doi.org/10.1039/D4CP04908J.
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Insight into congener substitution effects on the combustion chemistry of tetramethoxysilane and tetramethoxymethane: an experimental and kinetic modeling study Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-21
Qilong Fang, Jun Fang, Tianyou Lian, Wei Li, Yuyang Li -
Strong spin–orbit coupling effect induced large valley splitting in Janus MSeXH (M = Cr, Mo, and W; X = N and P) Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-22
Yang Zhang, Shi-qian Qiao, Cheng-long Wu, Zhi-qiang Ji, Hong Wu, Feng Li -
First-principles and machine learning study of the NRR in curvature-tuned TM-doped CNTs Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-22
Xiaolin Jiang, Hongchang Xu, Lifu Zhang, Zhenpeng Hu -
Molecular simulations and an experimental study of the oligopeptide-mediated fouling mechanisms of polyamide reverse-osmosis membranes Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-21
Ken Kinooka, Keizo Nakagawa, Hideto Matsuyama, Yu Fujimura, Takahiro Kawakatsu, Tomohisa Yoshioka -
Study of proximity-coupled magnetic anisotropy in V-doped SnTe using spin resonance and magnetic measurements Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-21
Subhadip Ghosh, Sanjeev Kumar Srivastava -
Machine-learning molecular dynamics simulations of shock response and spallation behavior in PPTA crystals Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-16
Lei Liu, Jingfu Shi, Di Song, Changqing Miao -
Modeling dissipative magnetization exchange dynamics in magnetic resonance Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-20
Neelam Sehrawat, Manoj Kumar Pandey, Ramesh Ramachandran -
Water desorption from microcline (001): insights into the first water layer Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-21
Tobias Dickbreder, Florian Schneider, Lea Klausfering, Kim Noelle Dreier, Franziska Sabath, Adam S. Foster, Ralf Bechstein, Angelika Kühnle -
Correction: A weakened Fermi level pinning induced adsorption energy non-charge-transfer mechanism during O2 adsorption in silicene/graphene heterojunctions Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-20
Xuhong Zhao, Haiyuan Chen, Jianwei Wang, Xiaobin NiuCorrection for ‘A weakened Fermi level pinning induced adsorption energy non-charge-transfer mechanism during O2 adsorption in silicene/graphene heterojunctions’ by Xuhong Zhao et al., Phys. Chem. Chem. Phys., 2024, 26, 3525–3530, https://doi.org/10.1039/D3CP05139K.
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First principles potentials for reactions on molecular crystals: modelling the interstellar H + CO reaction Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-20
Terry J. Frankcombe -
Al2B7: an extension of the inverse sandwich B9 cluster featuring Lewis acid sites and planar aromaticity Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-20
Peter L. Rodríguez-Kessler, Alvaro Muñoz-Castro -
A length descriptor to measure the linear and third-order nonlinear optical responses of atomic-cluster isomers Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-20
Quanjie Zhong -
Prediction of solution phase association constants by mapping contact points in intermolecular complexes Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-19
Katarzyna J. Zator, Christopher A. Hunter -
Coupling porphyrin with MXene nanosheets: exploring non-covalent interactions and photophysical characteristics Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-19
Marina Smirnova, Blazej Scheibe, Marcin Jarek, Alexandra Siklitskaya, Adam Kubas, Anna Lewandowska-Andralojc -
Reposition pathways of GTP in orthoflavivirus NS5-methyltransferase revealed by enhanced molecular dynamics simulations Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-19
Lok Wan Ng, Yuen-Kit Cheng, Wei Shen Aik, Wei Han -
Red blood cell Raman microscopy: modelling sub-cellular biochemistry Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2025-05-19
Victor V. Volkov, Joanna Aizenberg, Carole C. Perry
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