Showing results (1471-1480 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|July 9, 2026
Lithium Surface Restructuring and Dendrite-Like Protrusion Formation in Li-S Electrolytes From Reactive Molecular Simulations With Machine-Learned PotentialsMirella Fonda Maahury, Sabrina Chin-Yun Shen, Kayvon Tabrizi, et al.Journal of Computational Chemistry|April 8, 2026
Revisiting the Maximum Hardness Principle: A Quantitative Analysis on Reaction DatasetsAshima Bajaj, Farnaz Heidar-Zadeh, Thijs Stuyver, et al.Journal of Computational Chemistry|March 20, 2026
CHARMM Force Field for Curcuma longa Phytochemicals: Towards Reliable Modeling of Curcuminoids and Turmerones in Biological SystemsArchana, Vaibhav Charde, Vijay Kumar, et al.Journal of Computational Chemistry|April 13, 2026
Inconsistencies of Gaussian's "NBO 3.1" Module With Authentic Natural Population AnalysisFrank WeinholdJournal of Computational Chemistry|August 18, 2026
Physically Informed Population Initialization Improves Bonobo Optimizer Searches for Atomic Cluster Global MinimaBhrigu Chakraborty, Anakuthil AnoopJournal of Computational Chemistry|September 3, 2026
Precursor Design Principles for Area-Selective Atomic Layer Deposition of Alumina: Quantifying the Role of Lewis Acidity, Steric Repulsion, and Dimerization in Surface AdsorptionPatrick Maue, Douglas L Miller, Fabian Pieck, et al.Journal of Computational Chemistry|July 30, 2026
Mapping Trofinetide Polypharmacology in Rett Syndrome: A Multi-Stage Computational AnalysisLuis Felipe Hernández-Ayala, Gabriel Eduardo Guzmán-López, Annia GalanoJournal of Computational Chemistry|August 25, 2026
Theoretical Investigation on Pyrene-Based Self-Assembled Molecules Toward Efficient Interface Performance of Perovskite/Transparent ElectrodeYucheng Li, Jianbing Zhu, Zhiheng Li, et al.Journal of Computational Chemistry|September 8, 2026
Natural Atomic Orbitals at the Complete-Basis-Set Limit: A Frozen Natural-Minimal-Basis ConstructionDariusz W SzczepanikJournal of Computational Chemistry|September 11, 2026
CO and NO Detection by MN4@SWCNT in Background Gases: Multiscale DFT, Microkinetic, Boltzmann Transport StudyAdhitya Gandaryus Saputro, Ira Puspitasari, Dicky Setianto, et al.Pageof 598