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International Journal of Quantum Chemistry cover

International Journal of Quantum Chemistry

IF2
Papers110
Citations9782
Journal Papers 111
Publication Date
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Unlocking Giant Two-Photon Absorption Through Iodine Coordination in A-π-D-π-A Carbazole-Based Probes
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-04-07
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deleteSun, Xue; Wang, Yaochuan; Ni, Haoran; Yang, Jiuqi; Wang, Yizhuo; Li, Yu; Liu, Dajun; Xu, Xuesong; Chen, Maodu
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A Hybrid Convolutional Neural Network and Grid Extrapolation Approach for Predicting Solutions of the Electronic Schrödinger Equation
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-04-04
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deleteJaelani, Achmad; Majidi, Muhammad Aziz; Zhang, Rui-Qin; Sarwono, Yanoar Pribadi
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Three Methods to Identify and Visualize Nonuniform Changes in Interatomic Interactions: Second-Difference Analysis, Anharmonicity Inversion, and Distance-Dependent NMR Absolute Shieldings
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-31
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deleteShenderovich, Ilya G.; Denisov, Gleb S.
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Spin Crossover in the Cis-[CoII/III(bpym)2(-NCSe)2]0/+ Complexes
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-30
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deleteSalabat, Kobra; Sabzyan, Hassan
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Quantum Chemical Insights Into Noncovalent Interactions Between Aromatic Heterocycles and Formic Acid
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-29
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deleteBuragohain, Haimyapriya; Kumar, Vinod; Deka, Ramesh C.; Talukdar, Kaushik
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Spectroscopic and Collision Excitation Process for Li Atom Confined in a Gaussian Well With Application to Fullerene Confinement
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-28
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deleteChen, Zhanbin
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On Degree-Based Topological Indices and QSPR Analysis of Some Novel Drugs Used in the Treatment of Cervical Cancer Using Machine Learning With XGBoost and Regression Models
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-24
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deleteRamachandran, Uma; Kavitha, N.; Kumar, H. Naresh
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Scaling Properties of Net Information Measures for the Generalized Yukawa-Type and Potential
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-19
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deleteOyun, O. S.; Oyewumi, K. J.; Isonguyo, C. N.
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Computational Investigation of Arylazo Sulfonates: Geometric, Electronic, and Nonlinear Optical Properties via TD-DFT
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-19
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deleteAzeeza, Yousif Hussein; Omer, Rebaz Anwar; Amin, Hawraz Ibrahim M.; Kareem, Rebaz Obaid; Nicchio, Luca; Fagnoni, Maurizio
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Designing Bioinspired Multifunctional Hybrid Materials: A Theoretical Protocol for MIP@Estradiol-Like Steroids
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-13
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deleteGoncalves, Mateus A.; Sales, Thais A.; da Silva, Adilson C.; Ramalho, Teodorico C.; de Aquino, Sergio F.
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Electron Distributions of Molecular Domains: Canonical Ensemble and Charge Transfer Electronegativity Relationship
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-09
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deleteBochicchio, Roberto C.
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Theoretical Exploration Related to Excited State Behaviors for Bis-2,5-(2-Benzoxazolyl)-Naphthalenediol Fluorophore in Surrounding Solvents With Different Polarities
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-08
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deleteShen, Zibo; Liu, Chang; Chen, Jiahe; Zhao, Jinfeng
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Mutual Interplay of Hydrogen-Hydrogen and Hydrogen-Halogen Interactions in NH2OH⋯HOX Complexes: A Quantum Chemical Study
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-06
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deleteMoradkhani, Mohammadmehdi
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Modulating the Charge Transfer and Optoelectronic Properties of Quinacridone-Based A-D-A Solar Cell Materials by Benzothiadiazole Derivative Group Acceptors: A DFT Study
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-03
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deleteKushwaha, Pankaj Kumar; Srivastava, Sunil Kumar
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Calculation of Transport Properties of Polonium in Lead Bismuth Eutectic at High Temperature
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-03-02
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deleteWu, Jisen; Liu, Shangzhou; Zhou, Wenli; Ma, Jianyi
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Construction of Novel Supramolecular CBe5@C50(D5h)-Cl10 Based on Planar Pentacoordinate Carbon
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-02-27
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deleteLiu, Yi-Xuan; Xu, Hong-Liang
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Ultrafast Pinpointing the Global-Minimum Structures of Fullerenes Cn (n=20-10 260)
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IF2
delete2026-02-24
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deleteZhang, Yang-Yang
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Modulation of Solvent Polarity on Excited State Intramolecular Double Proton Transfer of 8-(1H-Benzo[d]imidazol-2-yl)quinolin-7-ol
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-02-22
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deleteLiu, Chang; Shen, Zibo; Zhao, Jinfeng; Chen, Jiahe
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The Structure and Dynamics of Undissociated HgCl2 in Aqueous Solution: Insight From a Quantum Mechanics/Molecular Mechanics Molecular Dynamics (QM/MM) Simulation
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-02-19
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deletePalwawiguna, Muhammad Cahyo; Prasetyo, Niko; Tahir, Iqmal
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Theoretical Insights Into the Photophysical Properties of the Isomorphic Fluorescent RNA Alphabet Derived From the Trifluoromethylthieno[3,4-d]Pyrimidine Core
deleteInternational Journal of Quantum Chemistry
IF2
delete2026-02-17
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deleteZhang, Laibin; Zhang, Yaping
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