International Journal of Quantum Chemistry

Papers
(The H4-Index of International Journal of Quantum Chemistry is 23. 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 2021-06-01 to 2025-06-01.)
ArticleCitations
Cover Image, Volume 121, Issue 1871
64
Cover Image, Volume 121, Issue 2459
52
Issue Information49
49
Deciphering the Influence of Alkylene Bridged and Chelating Mode on Pd—C and Pd—X (X = Cl, Br, and I) Bonding Interaction Within Bis‐(NHC)‐Palladium Complexes Using Quantum Chemistry Tools47
Issue Information43
DFT Investigations of Non‐Toxic Perovskites RbZnX3 (X = F, Cl, and Br): Analyzing the Structural, Electrical, Optical, Mechanical, and Thermodynamic Properties for Sui41
Exponentially correlated Hylleraas‐configuration interaction studies of atomic systems. II. Non‐relativistic energies of the 1 through 6 states of the Li+ ion37
Strain effects on the structural, electronic, optical and thermoelectric properties of Si2SeS monolayer with puckered honeycomb structure: A first‐principles study30
Control of chirality, bond flexing and anharmonicity in an electric field30
Degree‐based topological indices of the molecular structure of hyaluronic acid–methotrexate conjugates in cancer treatment29
Investigation of parameters affecting the high harmonic generation from monolayer WS229
Thermal isomerization of phenylazoindoles: Inversion or rotation? That is the question28
Exploring Zn doped η′‐Cu6Sn5: Structural stability, fracture toughness and thermal conductivity27
Gaussian basis functions for an orbital‐free‐related density functional theory of atoms26
Accelerating optical reporting for conformation of tyrosine kinase inhibitors in solutions25
Noncovalent interactions of 1,4‐dithiafulvene and nitroaromatics: A combined DFT and ab initio molecular dynamics (AIMD) study25
On the inclusion of cusp effects in expectation values with explicitly correlated Gaussians25
Potential energy surface and band gap landscape of molybdenum and titanium disulfides24
Ultra‐compact accurate wave functions for He‐like and Li‐like iso‐electronic sequences and variational calculus: III. Spin‐quartet state (1s2s3s) 23
Computation of entropy measures for phthalocyanines and porphyrins dendrimers23
Effect of BN substitution on structure, reactivity and spectroscopic properties of polyarylenevinylene systems: A computational insight23
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