A DFT‐Based Protocol for Modeling the Structure and Reactivity of Gold(III) Complexes.
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- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70179
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Works in Journal of Computational Chemistry, 2025, Vol 46, Issue 19
Results: 8
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MSCMLCIDTI: Drug–Target Interaction Prediction Based on Multiscale Feature Extraction and Deep Interactive Attention Fusion Mechanisms.
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- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70170
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Substituent Effect on the Nucleophilic Aromatic Substitution of Thiophenes With Pyrrolidine: Theoretical Mechanistic and Reactivity Study.
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- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70169
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4
Issue Information.
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- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.27413
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5
Voronota‐LT: Efficient, Flexible, and Solvent‐Aware Tessellation‐Based Analysis of Atomic Interactions.
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- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70178
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6
Anti‐Symmetric Molecular Graph Learning Approach With Residual Adaptive Network Based Fuzzy Inference System for Lethal Dose Forecasting Problem.
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- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70176
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7
Adapted DFTB3 Repulsive Potentials Reach DFT Accuracy for Hydride Transfer Reactions in Enzymes.
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- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70174
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8
Orbital Interactions in Hydrogen Bonds: A Perspective From the Chemical Bond Overlap Model.
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- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70166
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