Showing results (1-10 of 376) with videos related to
Sort By:
Pageof 38
The British Journal of Developmental Psychology|February 28, 2024
Picture book reading improves children's learning understandingZhenlin Wang, Yihan ShaoThe Journal of Physical Chemistry. A|April 14, 2007
YinYang atom: a simple combined ab initio quantum mechanical molecular mechanical modelYihan Shao, Jing KongThe Journal of Physical Chemistry. B|April 10, 2026
Accelerating Quantum Mechanical/Molecular Mechanical (QM/MM) Simulations with Stochastic Iso-Kinetic Nosé-Hoover Multiple Time Step Integrator in CHARMMKwangho Nam, Yihan ShaoChemical Physics Letters|July 20, 2010
Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 methodEmil Proynov, Yihan Shao, Jing KongMolecules (Basel, Switzerland)|September 29, 2018
Do Better Quality Embedding Potentials Accelerate the Convergence of QM/MM Models? The Case of Solvated Acid ClustersJunming Ho, Yihan Shao, Jin KatoMolecules (Basel, Switzerland)|October 3, 2018
Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM CalculationsXiaoliang Pan, Edina Rosta, Yihan ShaoJournal of the American Chemical Society|October 13, 2021
Enhanced Reverse Intersystem Crossing Promoted by Triplet Exciton-Photon CouplingQi Ou, Yihan Shao, Zhigang ShuaiJournal of Chemical Theory and Computation|November 1, 2021
Doubly Polarized QM/MM with Machine Learning Chaperone PolarizabilityBryant Kim, Yihan Shao, Jingzhi PuThe Journal of Physical Chemistry. A|June 28, 2019
Are Explicit Solvent Models More Accurate than Implicit Solvent Models? A Case Study on the Menschutkin ReactionJunbo Chen, Yihan Shao, Junming HoJournal of Computational Chemistry|April 21, 2007
Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsityYousung Jung, Yihan Shao, Martin Head-GordonPageof 38