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The Journal of Physical Chemistry. A|April 14, 2007
YinYang atom: a simple combined ab initio quantum mechanical molecular mechanical modelYihan Shao, Jing KongChemical Physics Letters|July 20, 2010
Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 methodEmil Proynov, Yihan Shao, Jing KongThe Journal of Chemical Physics|March 27, 2012
Ewald mesh method for quantum mechanical calculationsChun-Min Chang, Yihan Shao, Jing KongThe Journal of Chemical Physics|January 28, 2012
Improved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlationEmil Proynov, Fenglai Liu, Yihan Shao, et al.Journal of Inorganic Biochemistry|January 9, 2008
Combined QM/MM calculations of active-site vibrations in binding process of P450cam to putidaredoxinMarek Freindorf, Yihan Shao, Jing Kong, et al.Journal of Computational Chemistry|June 21, 2005
Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potentialMarek Freindorf, Yihan Shao, Thomas R Furlani, et al.The Journal of Chemical Physics|September 1, 2006
Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculationsRyan P Steele, Robert A DiStasio, Yihan Shao, et al.The Journal of Chemical Physics|December 10, 2008
Vibrational subsystem analysis: A method for probing free energies and correlations in the harmonic limitH Lee Woodcock, Wenjun Zheng, An Ghysels, et al.The British Journal of Developmental Psychology|February 28, 2024
Picture book reading improves children's learning understandingZhenlin Wang, Yihan ShaoThe 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 ShaoPageof 83