Showing results (2851-2860 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|August 8, 2025
The Paramagnetic Properties of Breathing Metal-Organic Frameworks: Theoretical Models for Paddle-Wheel Secondary Building Units of Cobalt, Nickel, and CopperMaxim R Ryzhikov, Svetlana G KozlovaJournal of Computational Chemistry|July 29, 2025
Exhaustive Spatial Sampling for Complete Topology of the Electrostatic PotentialEvelio Francisco, Ángel Martín Pendás, Dimas SuárezJournal of Computational Chemistry|July 29, 2025
Revealing the Effect of Hindered Weak Electrostatic Interactions of the Alkane Chain Length in the Imidazolium Chloride Ionic Liquids: A Molecular Electrostatic Potential StudyMary S Richardson, Ava Augustine, Nilesh R DhumalJournal of Computational Chemistry|November 11, 2025
The Sequential C2 Addition Formation Mechanism of [6,6] Fullertube C36+36+12 n Series: A Theoretical StudyKexin Ma, Kai Tan, Anan Wu, et al.Journal of Computational Chemistry|October 22, 2025
Leveraging Molecular Mechanics With the uESE Continuum Solvation Model for Efficient Solvation Free Energy Prediction: Impact of Conformation and Extensive ValidationAndrew S Paluch, Jeffrey G Ethier, Vikas VarshneyJournal of Computational Chemistry|October 17, 2025
Interrelationships Between Structural, Mechanical, and Electronic Properties in g-C3N4 NanotubesElise Y Li, Chi-You LiuJournal of Computational Chemistry|July 24, 2025
Large-Scale Calculations by Integrating the Fragmentation Approach With Neural Network PotentialsRei Oshima, Mikito Fujinami, Yuya Nakajima, et al.Journal of Computational Chemistry|July 27, 2025
Population Analysis From Variational Chemical Partition of Molecular Position SpaceBernard Silvi, M Esmaïl AlikhaniJournal of Computational Chemistry|July 27, 2025
Heterogeneous Autoxidation of VOCs Promotes Light-Scattering of Atmospheric Mineral Particle: A DFT StudyWeina Zhang, Zhichao Fan, Yao Zhou, et al.Journal of Computational Chemistry|July 10, 2025
A DFT-Based Protocol for Modeling the Structure and Reactivity of Gold(III) ComplexesLuana P P Cunha, Larissa P N M Pinto, Willian T G Novato, et al.Pageof 598