Chemical Physics

Papers
(The H4-Index of Chemical Physics is 25. 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 2022-05-01 to 2026-05-01.)
ArticleCitations
Pressure-induce structural changes of 1,1-diamino-2-nitro-2-(1-amino-1H-tetrazol-5-yl) ethene: An insensitive FOX-7-like energetic materials105
Pressure-induced structural phase transitions and metallization in cuprous oxide under different hydrostatic environments up to 25.3 GPa77
A new ab initio potential energy surface and rovibrational spectra for the N2–N2O complex75
Facilistic preparation of zinc oxide nanoarrays on nickel foam via a one-step chemical bath method for photocatalysis65
Integrated in silico-in vitro molecular modeling and design of halogenated phenylalanine-containing antihypertensive peptide inhibitors with halogen bonds to target human angiotensin-I-converting enzy56
First-principles study of electronic properties of multilayer palgraphyne and BN palgraphyne-like sheets55
Surface-active ionic liquids as drug carriers: A physico-chemical study47
Free energy reconstruction/decomposition from WHAM, force integration and free energy perturbation for an umbrella sampling simulation46
CeO2 nanosheets for high performance aqueous battery systems33
Thiapillar[5]arenes: Structures, Properties, and Host-Guest chemistry32
Investigation on structural, mechanical, electronic, vibrational, thermophysical, optic, and hydrogen storage properties of K2CaH4 under pressures from 0 to 15 GPa32
The photoelectric properties of 2D ZnO/black phosphorus heterostructures with different electric field31
Pseudocapacitive charge-storage properties of perovskite-based oxides Ca2-xSrxFeCoO6-δ (x = 0, 1)31
Computational investigations of optoelectronic properties of K2ScAuX6 (X = Cl, Br) double perovskites for energy harvesting devices31
Vibrational spectra and ab initio investigations of CH3Br-water complexes isolated in neon matrix30
Cross sections for elastic collisions of low-energy positrons with tetrachloroethylene (C29
The rate constant for the automerization of vinyl radical: A theoretical approach using the Complete Active Space Self Consistent Field method29
Rotational tunneling in molecular crystals revisited: Realization of pocket states28
Characterization of CZO thin films prepared by Sol – Gel dip coating technique with varied concentrations and annealed at different temperatures28
Contents continued28
Nernst slope and the constant surface charge density behind the ion adsorption-origin membrane potential27
The effect of laser repetition rate in second harmonic generation imaging and intensity detection27
Blue luminescent properties of Ce3+/Gd3+ co-doped NaBaBO3 phosphors26
Global diabatic potential energy surfaces of the C2H system and dynamics studies of the C(3P) + CH → C2(X1Σ + g, a3Π) + H reaction26
An Implementation of DMET-CCSD(T) in Water Clusters: Reduced Scaling and Quality of Relative Energies25
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