Showing results (5781-5790 of 5,980) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|November 24, 2025
Energy and Real Space Characteristics of Non-Covalent Interactions Across the Periodic TableEline Desmedt, Katarzyna Zator, Tatiana Woller, et al.Journal of Computational Chemistry|November 18, 2025
Strength of FeS Bonds and Hydrogen Bonds in Small Molecule Inhibitors of Bacterioferritin: QM/MM and Local Mode AnalysisMarek Freindorf, Elfi KrakaJournal of Computational Chemistry|November 14, 2025
DMPE: A Dual-Branch Molecular Property Encapsulation Framework With Kolmogorov-Arnold NetworksLihui Duo, Bencan Tang, Jonathan D Hirst, et al.Journal of Computational Chemistry|December 31, 2025
Accuracy and Scaling Factors of Non-Empirical Double-Hybrid Density Functionals for Harmonic and Fundamental Frequencies (And ZPVE)B Miguel, E Brémond, A J Pérez-Jiménez, et al.Journal of Computational Chemistry|January 14, 2026
Expanding the Palette of Molecular Fragments for Small Molecule De Novo Design Through Isosteric SwappingSteven Pak, Robert C RizzoJournal of Computational Chemistry|November 11, 2025
Density Functional Theory Study of Structural, Electronic and Optical Properties of 13-Atom Au-Ag-Cu Ternary ClustersWeiyin Li, Longcan Cheng, Hao Feng, et al.Journal of Computational Chemistry|November 3, 2025
Predicting Ti-49 NMR Chemical Shift With New NMR-DKH Basis SetMatheus Gunar Ramalho Gomes, Catherine Rodrigues Siqueira de Souza, Diego Fernando da Silva Paschoal, et al.Journal of Computational Chemistry|July 9, 2025
Voronota-LT: Efficient, Flexible, and Solvent-Aware Tessellation-Based Analysis of Atomic InteractionsKilment Olechnovič, Sergei GrudininJournal of Computational Chemistry|June 24, 2025
Three-Dimensional Metallic Boron Carbide: Stability and PropertiesKashif Hussain, Qiang Liu, Bin Chen, et al.Journal of Computational Chemistry|June 23, 2025
LUMPAC 2.0-Bridging Theory and Experiment in the Study of Luminescent SystemsJosé Diogo Lisboa Dutra, Willyan Farias Oliveira, Gustavo Santana Silva, et al.Pageof 598