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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- Publication type:
- Article
Works matching IS 0192-8651 AND VI 46 AND IP 19 AND DT 2025
Results: 8
1
2
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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- Publication type:
- Article
3
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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- Article
4
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.27413
- Publication type:
- Article
5
Voronota‐LT: Efficient, Flexible, and Solvent‐Aware Tessellation‐Based Analysis of Atomic Interactions.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70178
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- Publication type:
- Article
6
Anti‐Symmetric Molecular Graph Learning Approach With Residual Adaptive Network Based Fuzzy Inference System for Lethal Dose Forecasting Problem.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70176
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- Publication type:
- Article
7
Adapted DFTB3 Repulsive Potentials Reach DFT Accuracy for Hydride Transfer Reactions in Enzymes.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70174
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- Publication type:
- Article
8
Orbital Interactions in Hydrogen Bonds: A Perspective From the Chemical Bond Overlap Model.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70166
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- Publication type:
- Article