Showing results (191-200 of 364) with videos related to
Sort By:
Pageof 37
The Journal of Organic Chemistry|June 6, 2025
Chalcogen Bonding with Telluronium Cations: toward Selective Population of Tellurium σ-Holes by Lewis BasesLoic Groslambert, Yann Cornaton, Patrick Pale, et al.Science Advances|February 13, 2019
Reliable and practical computational description of molecular crystal polymorphsJohannes Hoja, Hsin-Yu Ko, Marcus A Neumann, et al.Journal of Chemical Theory and Computation|November 20, 2015
Noncovalent Interactions of DNA Bases with Naphthalene and GrapheneYeonchoo Cho, Seung Kyu Min, Jeonghun Yun, et al.Proteins|April 17, 2021
Molecular basis for higher affinity of SARS-CoV-2 spike RBD for human ACE2 receptorJulián M Delgado, Nalvi Duro, David M Rogers, et al.The Journal of Chemical Physics|November 7, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculationsJan Hermann, Martin Stöhr, Szabolcs Góger, et al.The Journal of Chemical Physics|February 9, 2022
Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskitesWei Bin How, Bipeng Wang, Weibin Chu, et al.Journal of Chemical Theory and Computation|November 1, 2021
Anisotropic Interlayer Force Field for Transition Metal Dichalcogenides: The Case of Molybdenum DisulfideWengen Ouyang, Reut Sofer, Xiang Gao, et al.Physical Chemistry Chemical Physics : PCCP|January 26, 2026
Advancing density functional tight-binding method for large organic molecules through equivariant neural networksLeonardo Medrano Sandonas, Mirela Puleva, Zekiye Erarslan, et al.The Journal of Physical Chemistry. A|November 8, 2023
Anisotropic Interlayer Force Field for Group-VI Transition Metal DichalcogenidesWenwu Jiang, Reut Sofer, Xiang Gao, et al.Physical Review Letters|March 5, 2009
Defect formation energies without the band-gap problem: combining density-functional theory and the GW approach for the silicon self-interstitialPatrick Rinke, Anderson Janotti, Matthias Scheffler, et al.Pageof 37