Journal of Physical Chemistry B

Papers
(The H4-Index of Journal of Physical Chemistry B is 39. 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 2021-11-01 to 2025-11-01.)
ArticleCitations
The Role of Electron Donating Ability of Pendant Groups in the Photophysics of Donor–Acceptor–Donor Diaminoterephthalate Derivatives222
Greater Influence of Density on the Electrical Properties of an Organic Semiconductor Glass Compared to Molecular Orientation129
Coarse-Grained Insights into Insulin Aspart Adsorption on Plasticized Poly(vinyl chloride) (PVC) Surfaces113
Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm2+, Eu2+, Dy2+, Yb2+, Cf2+, and Three Halide 96
Optical Properties and Excited-State Dynamics of Safranin O Monomers and Dimers in Aqueous Solution86
Structural Rearrangement of the AT1 Receptor Modulated by Membrane Thickness and Tension74
Phase Separation and Ion Diffusion in Ionic Liquid, Organic Solvent, and Lithium Salt Electrolyte Mixtures74
Kinetics of Shear-Induced Structural Ordering in Dense Colloids72
Behavior of Long-Chain Hydrocarbons at High Pressures and Temperatures70
Modeling Non-additive Effects in Neighboring Chemically Identical Fluorophores60
Molecular Dynamics Simulation of a Brine Droplet under an Electric Field: Distinct Behavior Shown by NaCl and CaCl257
Molecular Dynamics Simulations of Ideal Living Polymerization: Terminal Model and Kinetic Aspects54
Accumulation and Stretching of DNA Molecules in Temperature-Induced Concentration Gradients53
Design and Synthesis of Novel Dual-Functional Protic Ionic Liquids with a Superior High CO2 Absorption Efficiency52
Investigating Different Dynamic pHP1α States in Their KCl-Mediated Liquid–Liquid Phase Separation (LLPS) Using Solid-State NMR (SSNMR) and Molecular Dynamic (MD) Simulations52
Molecular Insights into the Penetration Enhancement Mechanism of Terpenes to Skin52
Microwave Hyperpolarization Effect─An Orthogonal Incoherent Microwave Field Heating Study52
Correction to “Toward Gene-Correlated Spatially Resolved Metabolomics with Fingerprint Coherent Raman Imaging”51
Coordination Behavior of a Confined Ionic Liquid in Carbon Nanotubes from Molecular Dynamics Simulations50
Role of Alkali Cations in DNA–Thioflavin T Interaction47
Liquid Water: A Single Approach to Its Two Continuous Phase Transitions47
Blocker Effect on Diffusion Resistance of a Membrane Channel: Dependence on the Blocker Geometry46
Correlation of Macroscopic Surface Tension and Microscopic Surface Composition of Binary Ionic Liquid Mixtures with Common Cations and Anions of Different Size45
Connecting Diffraction Experiments and Network Analysis Tools for the Study of Hydrogen-Bonded Networks44
DFT-Based Calculation of Molecular Hyperpolarizability and SFG Intensity of Symmetric and Asymmetric Stretch Modes of Alkyl Groups44
Effects of Aqueous Isotopic Substitution on the Adsorption Dynamics and Dilational Rheology of β-Lactoglobulin Layers at the Water/Air Interface43
Comparative Investigation of the Microstructure of MgCl2 Aqueous Solutions Using Different X-ray Scattering Sources, Raman Spectroscopy, and Atomistic Simulations43
Hydration Structure of Na+ and K+ Ions in Solution Predicted by Data-Driven Many-Body Potentials43
Sensitivity Analysis of ReaxFF Potential: The Case of Si/O System42
Critical Thicknesses of Free-Standing Thin Films of Molten Polymers: A Multiscale Simulation Study42
Reactivity of Monoethanolamine at the Air–Water Interface and Implications for CO2 Capture41
In Silico Prediction of Stratum Corneum Partition Coefficients via COSMOmic and Molecular Dynamics Simulations41
Laurdan Discerns Lipid Membrane Hydration and Cholesterol Content41
A New Force Field for OH for Computing Thermodynamic and Transport Properties of H2 and O2 in Aqueous NaOH and KOH Solutions40
Evaluating the Conformations and Dynamics of Peptoid Macrocycles40
Determining Chemical Microheterogeneity from the Analysis of Absorption and Luminescence Transient Signals40
Resonance Raman Studies on Heme Ligand Stretching Modes in Methionine80-Depleted Cytochrome c: Fe–His, Fe–O2, and O–O Stretching Modes40
Effects of Enzyme–Ligand Interactions on the Photoisomerization of a Light-Regulated Chemotherapeutic Drug40
Ab Initio Molecular Dynamics Study of Aqueous Solutions of Magnesium and Calcium Nitrates: Hydration Shell Structure, Dynamics and Vibrational Echo Spectroscopy39
Stationary and Time-Dependent Carbon Monoxide Stretching Mode Features in Carboxy Myoglobin: A Theoretical–Computational Reappraisal39
Non-equilibrium Effects of Polymer Dynamics under Nanometer Confinement: Effects of Architecture and Molar Mass39
Bond Bundle Analysis of Ketosteroid Isomerase39
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