Physical Chemistry Chemical Physics

Papers
(The H4-Index of Physical Chemistry Chemical Physics is 50. 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 2021-08-01 to 2025-08-01.)
ArticleCitations
Observation of spin-splitting energies on sp–d exchange interactions tailored in colloidal CdSe/CdMnS core/shell nanoplatelets: an atomistic tight-binding model273
Silver nanoparticle-decorated NiFe2O4/CuWO4 heterostructure electrocatalyst for oxygen evolution reactions256
A two-step quadrature-based variational calculation of ro-vibrational levels and wavefunctions of CO2 using a bisector-x molecule-fixed frame223
Strain-induced ferroelectric polarization reversal without undergoing geometric inversion in blue SiSe monolayer199
Structural descriptors and information extraction from X-ray emission spectra: aqueous sulfuric acid185
Field-dependent THz transport nonlinearities in semiconductor nano structures176
The primary photo-dissociation dynamics of lactic acid: decarboxylation as CO2 and CO2˙127
Spin Hall effect modulated by an electric field in asymmetric two-dimensional MoSiAs2Se122
Probing the reactivity of 2,2-diphenyl-1-picrylhydrazyl (DPPH) with metal cations and acids in acetonitrile by electrochemistry and UV-Vis spectroscopy110
A single carbon nanotube-entangled high-performance buckypaper with tunable fracture mode110
Contribution of the lamellar morphology to the photocatalytic activity of alkaline-hydrothermally treated titania in rhodamine B photodegradation108
Enhanced Curie temperature and conductivity of van der Waals ferromagnet MgV2S4via electrostatic doping104
Signatures of pancake bonding in hydrated eumelanin95
Distinct effects of zwitterionic molecules on ionic solvation in (ethylene oxide)10: a molecular dynamics simulation study94
Oxygen nonstoichiometry and thermodynamic quantities of Gd and Cu doped misfit-layered calcium cobaltites90
An accurate full-dimensional H4O potential energy surface and dynamics of an exchange reaction80
Tuning the work function of graphite nanoparticles via edge termination79
Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides77
Thermobaric history as a tool to govern properties of glasses: case of dipropylene glycol77
Engineering giant excitonic coupling in bioinspired, covalently bridged BODIPY dyads75
Nitrogen adsorption on Nb2C6H4+ cations: the important role of benzyne (ortho-C6H4)74
Direct reduction of NO into N2 catalyzed by fullerene-supported rhodium clusters74
A self-assembled coordination cage enhances the reactivity of confined amides via mechanical bond-twisting73
Recent advances in modelling core-electron spectroscopy73
Förster and nanometal surface-energy transfer in CsPbCl3/Yb3+ quantum-cutting multilayer structures67
ReaxFF molecular dynamics of graphene oxide/NaCl aqueous solution interfaces67
The partitioning of primary alcohols into the aggregates of gemini amphiphiles determined from diffusion NMR experiments66
Enhanced dielectric constant and breakdown strength of sandwiched polymer nanocomposite film for excellent energy storage66
All-inorganic halide perovskite CsPbBr3: a DFT study of a self-powered formaldehyde sensor66
Exciton–polariton light-emitting diode based on a single ZnO superlattice microwire heterojunction with performance enhanced by Rh nanostructures64
Magnetism of single-doped paramagnetic tin clusters studied using temperature-dependent Stern–Gerlach experiments with enhanced sensitivity: impact of the diamagnetic ligand field and paramagnetic dop63
Enhancing the energetic and magnetic stability of atomic hydrogen chemisorbed on graphene using (non)compensated B–N pairs62
State of anion in ethylammonium nitrate enclosed between micrometer-spaced glass plates as studied by 17O and 15N NMR60
Collagen – a newly discovered major player in protein corona formation on nanoparticles59
A first-principles study of water adsorbed on flat and stepped silver surfaces59
Insightful understanding of charge transfer processes in metalated phthalocyanines59
A reduced electrophilicity for simple Lewis acids A involved in non-covalent interactions with Lewis bases B58
Energy level measurement for organic semiconductors57
Proton conductivity in multi-component ABO4-type oxides57
Infrared-driven dynamics and scattering mechanisms of NO radicals with propane and butane: impacts of pseudo Jahn–Teller effects56
Coverage-sensitive mechanism of electrochemical NO reduction on the SrTiO3(001) surface: a DFT investigation56
Molecular dynamics investigation of benzoic acid in confined spaces54
Theoretical investigation on isomerization and decomposition reactions of pentanol radicals–part II: linear pentanol isomers54
Silver cation tagged on 5,7,12,14-tetraphenyl-6,13-diazapentacene and its dihydro-form52
Role of hydrogen bonding in bulk aqueous phase decomposition, complexation, and covalent hydration of pyruvic acid52
Chirality and length-dependent electron transmission of fullerene-capped chiral carbon nanotubes sandwiched in gold electrodes51
An off-center endohedrally confined hydrogen molecule51
Collision-induced state-changing rate coefficients for cyanogen backbones NCN 3Σ and CNN 3Σ in astrophysical environments51
Movable triple points and Dirac points in centrosymmetric AB2 (A = Cr, Mo; B = Si, Ge) compounds51
Unraveling the role of superalkalis in modulating the static and dynamic hyperpolarizabilities of emerging calix[4]arenes51
Promotional effects of cerium in ytterbium doped fibers on proton irradiation damage50
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