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Nanotechnology|June 4, 2016
Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctionsVladmír Zobač, James P Lewis, Pavel JelínekPhysical Review Letters|August 25, 2004
Band-gap tunneling states in DNAHao Wang, James P Lewis, Otto F SankeyThe Journal of Physical Chemistry Letters|October 18, 2019
Accelerated Discovery of Two-Dimensional Optoelectronic Octahedral Oxyhalides via High-Throughput Ab Initio Calculations and Machine LearningXing-Yu Ma, James P Lewis, Qing-Bo Yan, et al.Angewandte Chemie (International Ed. in English)|April 7, 2022
Tuning Surface-Electron Spins on Fe3 O4 (111) through Chemisorption of Carbon MonoxideDong-Bo Cao, Xingchen Liu, James P Lewis, et al.Physical Chemistry Chemical Physics : PCCP|May 16, 2018
Structural and catalytic properties of the Au25-xAgx(SCH3)18 (x = 6, 7, 8) nanoclusterGihan Panapitiya, Hong Wang, Yuxiang Chen, et al.The Journal of Chemical Physics|April 26, 2013
Calculation of non-adiabatic coupling vectors in a local-orbital basis setEnrique Abad, James P Lewis, Vladmír Zobač, et al.Organic Letters|October 4, 2007
Intermolecular cross-double-michael addition between nitro and carbonyl activated olefins as a new approach in C-C bond formationXiaohua Sun, Sujata Sengupta, Jeffrey L Petersen, et al.Journal of the American Chemical Society|November 9, 2018
Machine-Learning Prediction of CO Adsorption in Thiolated, Ag-Alloyed Au NanoclustersGihan Panapitiya, Guillermo Avendaño-Franco, Pengju Ren, et al.Journal of the American Chemical Society|June 17, 2016
Product Selectivity Controlled by Zeolite Crystals in Biomass Hydrogenation over a Palladium CatalystChengtao Wang, Liang Wang, Jian Zhang, et al.Journal of the American Chemical Society|December 14, 2017
A Machine-Driven Hunt for Global Reaction Coordinates of Azobenzene PhotoisomerizationPedram Tavadze, Guillermo Avendaño Franco, Pengju Ren, et al.Pageof 3