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Journal of Computational Chemistry|January 29, 2017
Reliable and efficient reaction path and transition state finding for surface reactions with the growing string methodMina Jafari, Paul M ZimmermanJournal of Computational Chemistry|July 23, 2013
A protocol to evaluate one electron redox potential for iron complexesHyungjun Kim, Joungwon Park, Yoon Sup LeeMolecules (Basel, Switzerland)|November 15, 2018
Hydration Thermodynamics of Non-Polar Aromatic Hydrocarbons: Comparison of Implicit and Explicit Solvation ModelsHankyul Lee, Hyung-Kyu Lim, Hyungjun KimPhysical Chemistry Chemical Physics : PCCP|September 28, 2013
Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas moleculesJaeyong Joo, Hyungjun Kim, Sang Soo HanScientific Data|July 5, 2019
Energy refinement and analysis of structures in the QM9 database via a highly accurate quantum chemical methodHyungjun Kim, Ji Young Park, Sunghwan ChoiThe Journal of Physical Chemistry. B|November 13, 2025
Molecular Dynamics-Based Optimization of Glyme ElectrolytesJihye Park, William A Goddard, Hyungjun KimJournal of the American Chemical Society|February 7, 2013
Inner-sphere electron-transfer single iodide mechanism for dye regeneration in dye-sensitized solar cellsJiwon Jeon, William A Goddard, Hyungjun KimThe Journal of Physical Chemistry Letters|August 20, 2015
Universal Correction of Density Functional Theory to Include London Dispersion (up to Lr, Element 103)Hyungjun Kim, Jeong-Mo Choi, William A GoddardChemistry, an Asian Journal|April 26, 2022
Machine Learning Applications for Chemical ReactionsSanggil Park, Herim Han, Hyungjun Kim, et al.Proceedings of the National Academy of Sciences of the United States of America|August 30, 2011
High-temperature high-pressure phases of lithium from electron force field (eFF) quantum electron dynamics simulationsHyungjun Kim, Julius T Su, William A GoddardPageof 51