Physical Chemistry Chemical Physics

Papers
(The H4-Index of Physical Chemistry Chemical Physics is 49. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-08-01 to 2026-08-01.)
ArticleCitations
Theoretical and machine learning models for reaction-barrier predictions: acrylate and methacrylate radical reactions142
Unraveling the impact of cyclic peptide primary structure on rotaxane formation through umbrella sampling molecular dynamics simulations134
An empirical experimental investigation on the effect of an external electric field on the behaviour of laser-induced cavitation bubbles133
Photochemistry of dibromine peroxide, BrOOBr131
High-throughput screening of the transport behavior of tetragonal perovskites130
Inside front cover123
Electrochemical stability of biodegradable Zn–Cu alloys through machine-learning accelerated high-throughput discovery122
The pure spin current and fully spin-polarized current induced by the photogalvanic effect and spin-Seebeck effect in halogen-decorated phosphorene119
The role of pressure on lattice thermal conductivity and its related thermodynamical parameters in In 0.53 Ga 0.47 118
Energy level measurement for organic semiconductors116
Einstein–Debye model for density-functional prediction of vibrational free energies of molecular crystals111
Inside front cover111
Breaking the Boltzmann limit in sub-5 nm monolayer CdPS 3 transistors105
Infrared-driven dynamics and scattering mechanisms of NO radicals with propane and butane: impacts of pseudo Jahn–Teller effects103
Taming multiple binding poses in alchemical binding free energy prediction: the β-cyclodextrin host–guest SAMPL9 blinded challenge102
TiB 4 and SrB 8 monolayers: high capacity and zero strain-like anode materials for Li/Na/K/Ca ion 101
On point perforating defects in bilayer structures91
Inside back cover90
Front cover86
Enhanced dielectric constant and breakdown strength of sandwiched polymer nanocomposite film for excellent energy storage83
High-accuracy theoretical studies on the gas-phase reaction mechanisms of sulfur mustard with reactive oxygen species (OH/O 2 /HO 78
Sorting drug conformers in enzyme active sites: the XTB way74
Investigation of Mn-based MBenes towards the perspective of antiferromagnetic spintronics: a DFT study72
Improved SABRE hyperpolarisation using pulse sequences to reduce effective coupling70
Field-dependent THz transport nonlinearities in semiconductor nano structures70
Terahertz insights into liquid water physics from an experimental perspective69
Underscreening in concentrated electrolytes: re-entrant swelling in polyelectrolyte brushes68
Enhancing the energetic and magnetic stability of atomic hydrogen chemisorbed on graphene using (non)compensated B–N pairs66
Phase diagram and dynamics of the edge oxidation of C 3 N monolayers in O 2 atmosphere from first-66
Chemical and biological incorporation of the blue florescent amino acid 4-cyanotryptophan into proteins: application to tune the absorption and emission wavelengths of GFP59
Capturing CO 2 by ceria and ceria–zirconia nanomaterials of different origin57
A multifunctional switching bidirectional optical absorber based on a titanium nitride metamaterial57
n-Type doping of BiVO 4 with different F-doped concentrations for improving the electronic character of BiVO 4 57
All-inorganic halide perovskite CsPbBr 3 : a DFT study of a self-powered formaldehyde sensor57
A detailed study of the electronic and optical properties of germanium nanotubes56
Mechanisms of cesium incorporation and thermal stability in sodalite55
Carotenoid radical formation after multi-photon excitation of 8′-apo-β-carotenal54
Pattern-illumination time-resolved phase microscopy and its applications for photocatalytic and photovoltaic materials53
Proton conductivity in multi-component ABO 4 -type oxides53
Probing the reactivity of 2,2-diphenyl-1-picrylhydrazyl (DPPH) with metal cations and acids in acetonitrile by electrochemistry and UV-Vis spectroscopy52
Elucidation of factors shaping reactivity of 5′-deoxyadenosyl – a prominent organic radical in biology52
Does supercooled water retain its universal nucleation behavior under shear at high pressure?52
Engineering highly efficient porphyrin sensitizers through metal, ligand and bridge modification: a DFT study51
Molecular dynamics investigation of benzoic acid in confined spaces51
Concerted proton transfer in homogeneous and heterogeneous cyclic hydrogen-bonded clusters of H 2 O, HF, and HCl50
2D correlation SERS of organic ions using AuNP films at electrified soft interfaces50
Front cover50
Easy-axis crystal field limit in trivalent lanthanide complexes: expected magnetization, susceptibility, magnetic torque and XMCD signatures50
Valence-to-core X-ray emission spectroscopy of transition metal tetrahalides: mechanisms governing intensities50
The impact of anion mixing on Li + coordination and transport properties in pyrrolidinium-based ionic liquid electrolytes49
Back cover49
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