Journal

Physical Chemistry Chemical Physics

1463-9076 · Royal Society of Chemistry (RSC)

125 verified public works

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A multimodal switchable terahertz metamaterial absorber based on the coupling of VO 2 and graphene

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Acceptor strength and solvent polarity govern charge separation in TCBD- and DCNQ-functionalized isoindigo chromophores

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Planar tetracoordinate fluorine stabilized by rigid Zn 4 Po 4 , Cd 4 Te 4 , and Cd 4 Po 4 rings

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Guest-induced amorphization and cage-selective guest dynamics in solid organic clathrates

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Assessing sequence reversal effects on coiled-coil stability using AI-based structure prediction and enhanced sampling atomistic simulations

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Quantum-mechanical elastic and transport cross sections for Mg + –He collisions: from ultracold sympathetic cooling to room-temperature ion mobility

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Electronic and bonding origin of enhanced phase stability in layered 1T-MoSSe

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Tuning structure and transport properties in triglyme-based solvate ionic liquids via controlled water addition

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Accurate m 6 A modification forcefield for conformation sampling of RNA

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Complex and heterogeneous fusion dynamics of protein condensates by high-speed imaging and optical trapping

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Two-dimensional materials for gas sensing: bridging computational design and experimental synthesis

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Engineering electron redistribution in the Ni 3 Fe alloy through Ru doping for efficient water splitting

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The gas-sensitive properties of Ti 2 CO 2 MXene modified by transition metals (Ir and Rh) in relation to lithium-ion thermal runaway gases: a first-principles study

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Data-driven calibration of atomic volumes for efficient prediction of material properties from chemical formula

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A reactant coordinate-based method with a goniometer-shaped grid: higher-order split operators and application to the resonance-mediated Cl + H 2 ( v = 1) reaction

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UV-vis spectral studies of interactions between methylene blue and cationic surfactant (alkyltrimethylammonium bromide salt) in aqueous solutions

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Comprehensive study on the structure and dynamics of ammonium-based biocompatible ionic liquids

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Computational screening of M–N–C single-atom sensors for multicomponent VOC detection

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Influence of protonation on the structural, spectroscopic and electrochemical properties of 1,3-diazaphenalenes

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The ionization of aqueous indole at low excitation energies

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Transient radicals, persistent products: flash pyrolysis of 4-ethylguaiacol and eugenol at 1000 °C

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Combining fingerprint-based deep neural networks with machine learning potentials for the study of eumelanin components

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Efficient discovery and property optimization of quantum materials via reinforcement-inspired active learning: a case study of MXene semiconductors

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Oligomerising biomimetic UV filters for next-generation sunscreens

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Ferroelectricity-controlled room-temperature magnetic skyrmions in 2D multiferroic heterostructures

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Mechanistic insights into the photosensitizing activity of Eosin Y and Rose Bengal: a comparative computational and experimental study

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Autonomous stepping dynamics of a two-legged DNA walker on a nanopore track

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TEMPO-oxidised cellulose nanofibrils from bacterial cellulose: how the cellulose source influences the gelation mechanisms

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Coulomb trapping of ions in a solid electrolyte interphase by deprotonation-induced surface charges

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Computational investigation of small toxic molecule adsorption on water-stable metal–organic frameworks

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