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| Formation of dimethyl sulfide (CH3SCH3) and ethanethiol (CH3CH2SH) in interstellar analog ices of methane (CH4) and hydrogen sulfide (H2S)
Ashanie Herath, Andrew M. Turner, Mason McAnally, Jia Wang and Ralf I. Kaiser Phys. Chem. Chem. Phys., 2026, 28, 5094 DOI:10.1039/D5CP04456A |
Field-nanoconfinement coupling enhanced water desalination in carbon nanotubes
Hangtong Li, Zhuan Ge, Jihao Liu and Sergio Andres Galindo-Torres Phys. Chem. Chem. Phys., 2026, 28, 5119 DOI:10.1039/D5CP04046A |
Dopant distributions and band-edge positions in Sr-doped NaTaO3: a first-principles study
Ryusei Morimoto, Hiroki Uratani, Hiroshi Onishi and Hirofumi Sato Phys. Chem. Chem. Phys., 2026, 28, 5111 DOI:10.1039/D5CP04385A |
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| High-resolution spectroscopy of [H,C,N]+: I. Rotationally resolved vibrational bands of HCN+ and HNC+
Philipp C. Schmid, Samuel J. P. Marlton, Weslley G. D. P. Silva, Thomas Salomon, János Sarka, Sven Thorwirth, Oskar Asvany and Stephan Schlemmer Phys. Chem. Chem. Phys., 2026, 28, 4394 DOI:10.1039/D5CP04201A |
Excited-state intermolecular proton transfer and competing pathways in 3-hydroxychromone: a non-adiabatic dynamics study
Alessandro Nicola Nardi and Morgane Vacher Phys. Chem. Chem. Phys., 2026, 28, 4422 DOI:10.1039/D5CP04236D |
Trifluoroacetic acid formation from HFC-134a under atmospheric conditions
Allen Vincent, Kazuumi Fujioka, Yuheng Luo, Ralf Kaiser and Rui Sun Phys. Chem. Chem. Phys., 2026, 28, 4433 DOI:10.1039/D5CP03359D |
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| A first-principles theoretical study on two-dimensional MX and MX2 metal halides: bandgap engineering, magnetism, and catalytic descriptors
Yu-Hsiu Lin, Daniel Maldonado-Lopez and Jose L. Mendoza-Cortes Phys. Chem. Chem. Phys., 2026, 28, 3832 DOI:10.1039/D5CP03188E |
Ionic liquid conductivity models by symbolic regression
Isak Bengtsson and Patrik Johansson Phys. Chem. Chem. Phys., 2026, 28, 3841 DOI:10.1039/D5CP04143K |
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| Ion transport across bilayer lipid membranes between two aqueous phases in the presence of iodide and triiodide ions
Weipai Chuang, Keisei Sowa, Yuki Kitazumi and Osamu Shirai Phys. Chem. Chem. Phys., 2026, 28, 3161 DOI:10.1039/D5CP02791H |
Dipole-bound states in the meta form of the green fluorescent protein chromophore observed by cryogenic action spectroscopy
Anne P. Rasmussen, Nikolaj Klinkby and Lars H. Andersen Phys. Chem. Chem. Phys., 2026, 28, 3168 DOI:10.1039/D5CP04796J |
A hybrid classical-quantum algorithm to simulate ECD spectra – the case of tryptophan zwitterions in water
Renato Olarte Hernandez, Armand Soldera and Benoît Champagne Phys. Chem. Chem. Phys., 2026, 28, 3183 DOI:10.1039/D5CP03805G |
Concerted proton transfer in homogeneous and heterogeneous cyclic hydrogen-bonded clusters of H2O, HF, and HCl
Max R. Tucker, Yuan Xue, Nathan R. Speake, Eden Nickolson, Jeremy M. Carr and Gregory S. Tschumper Phys. Chem. Chem. Phys., 2026, 28, 3174 DOI:10.1039/D5CP03769G |
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| A chemical capacitor – its concept, functionalities and limits
Łukasz Wolański, Dawid Ciszewski, Piotr Szkudlarek, José Lorenzana and Wojciech Grochala Phys. Chem. Chem. Phys., 2026, 28, 2767 DOI:10.1039/D5CP02898A |
Tailoring the electronic structure of cobalt phthalocyanine on BiVO4via substituent effects for enhancing photoelectrochemical water splitting
Zhehui Xiao, Shuangwei Yu, Zihan Bian, Qianqian Dong, Haohao Yuan, Xue Gong, Xiong He, Daochuan Jiang and Zijun Sun Phys. Chem. Chem. Phys., 2026, 28, 2779 DOI:10.1039/D5CP02984H |
IAPP surface-induced aggregation and corilagin’s inhibitory effect
Shabeena Jegamohan, Maziar Jafari, Frédérique Bérubé, Steve Bourgault and Roger Gaudreault Phys. Chem. Chem. Phys., 2026, 28, 2794 DOI:10.1039/D5CP04100G |
Theoretical analysis of H/D isotope effect in K3H(SO4)2 and its influence on phase transition temperature
Yuu Ishii, Kazuaki Kuwahata, Tomomi Shimazaki and Masanori Tachikawa Phys. Chem. Chem. Phys., 2026, 28, 2788 DOI:10.1039/D5CP02885J |
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| Semiclassical second order vibrational perturbation theory for hopping rates of H and D atoms on Pt(111) and H on Ru(0001)
Eli Pollak Phys. Chem. Chem. Phys., 2026, 28, 2054 DOI:10.1039/D5CP03122B |
Kinetics of radiation-induced Cr(II) and Cr(III) redox chemistry in molten LiCl–KCl eutectic
Kazuhiro Iwamatsu, Gregory P. Horne, Alejandro Ramos-Ballesteros, Stephanie Castro Baldivieso, Jacy K. Conrad, Michael E. Woods, William C. Phillips, Jay A. LaVerne, Simon M. Pimblott and James F. Wishart Phys. Chem. Chem. Phys., 2026, 28, 2061 DOI:10.1039/D4CP04190A |
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| Vibrational circular dichroism of tartaric acid in water
Deborah A. Drost and Christian Merten Phys. Chem. Chem. Phys., 2026, 28, 1111 DOI:10.1039/D5CP03705K |
Toward a deeper understanding of H–Ni3C interactions: rule-based insights
Kohei Tada, Kai Matsuyama, Sho Yamaguchi, Ryohei Kishi, Tomoo Mizugaki and Yasutaka Kitagawa Phys. Chem. Chem. Phys., 2026, 28, 1118 DOI:10.1039/D5CP02869H |
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| A computational protocol for 15N NMR parameter prediction in aqueous peptide ensembles using optimized DFT methods
Minji Kim, Jung Ho Lee and Keunhong Jeong Phys. Chem. Chem. Phys., 2026, 28, 28 DOI:10.1039/D5CP03354C |
Characterization of the sedimentation and drying processes of complex mining tailings materials using NMR
SeyedHamed Derakhshandeh, Jussi Nousiainen, Markus Piekkari, Joonas Karvo, Aki Auer, Saija Luukkanen, Pertti Sarala, Ville-Veikko Telkki, Elena Kozlovskaya and Vladimir V. Zhivonitko Phys. Chem. Chem. Phys., 2026, 28, 52 DOI:10.1039/D5CP03347K |
Sigma-hole-supported interactions in complexes of group 5 oxyhalides (MOX3) with insights for their extended solids
Donovan Hoilette, Gabriel F. Stewart and Kelling J. Donald Phys. Chem. Chem. Phys., 2026, 28, 67 DOI:10.1039/D5CP03656A |
