Cover Image.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70120
- Publication type:
- Article
Works matching IS 01928651 AND DT 2025 AND VI 46 AND IP 11
Results: 16
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The Role of Gold in Modifying the Structural Stabilities, Superhalogen Properties, and Double Aromaticity of Cyclic Carbon Clusters: Insights From AuC<sub>20</sub><sup>−</sup> and AuC<sub>20</sub>.
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- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70117
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- Article
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Computational Study of Complexation in LiH:nNH<sub>3</sub> (n = 1–4) Clusters: An Interplay Among Hydrogen, Dihydrogen, and Lithium Bonds.
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- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70114
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- Article
4
Studying the Protein Thermostabilities and Folding Rates by the Interaction Energy Network in Solvent.
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- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70113
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- Article
5
Beyond ST‐246: Unveiling Potential Inhibitors Targeting VP37 Protein in Silico From Herb and Marine Databases.
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- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70111
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- Publication type:
- Article
6
On the Use of PDB X‐Ray Crystal Structures as Force Field Target and Validation Data for Pyranose Ring Puckering.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70110
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- Publication type:
- Article
7
The Effects of Conformational Sampling and QM Region Size in QM/MM Simulations: An Adaptive QM/MM Study With Model Systems.
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- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70109
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- Publication type:
- Article
8
Substrates (Acyl‐CoA and Diacylglycerol) Entry and Products (CoA and Triacylglycerol) Egress Pathways in DGAT1.
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- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70108
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- Publication type:
- Article
9
Assessment of Free Energies From Electrostatic Embedding Density Functional Tight Binding‐Based/Molecular Mechanics in Periodic Boundary Conditions.
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- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70107
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- Article
10
IMPACT‐4CCS: Integrated Modeling and Prediction Using Ab Initio and Trained Potentials for Collision Cross Sections.
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- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70106
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- Article
11
Giant Dipole Moments: Remarkable Effects Mono‐, Di‐, and Tri‐ Hydrated 5,6‐Diaminobenzene‐1,2,3,4‐Tetracarbonnitrile.
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- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70105
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- Publication type:
- Article
12
Atomic Neural Network for Calculation of Solvation Free Energies in Organic Solvents.
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- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70104
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- Article
13
Collisional Dynamics of Newly Detected Protonated Dicyanoacetylene (NC4NH+) With He at Low Interstellar Temperatures.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70103
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- Publication type:
- Article
14
Analytical First Derivatives of the SCF Energy for the Conductor‐Like Polarizable Continuum Model With Non‐Static Radii.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70099
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- Publication type:
- Article
15
Through‐Space/Through‐Bond Energy Decomposition Analysis Clarifies the Mechanism of Transition Mutation in DNA Containing O6‐Methylguanine Lesion.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.70091
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- Article
16
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 11, p. 1, doi. 10.1002/jcc.27405
- Publication type:
- Article