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Physical Chemistry Chemical Physics : PCCP|August 24, 2017
Remarkable nonlinear optical response of excess electron compounds: theoretically designed alkali-doped aziridine M-(C2NH5)nBo Li, Chao Xu, Xuan Xu, et al.The Journal of Physical Chemistry. A|August 22, 2023
Torsion Angles between Donor and Acceptor Moieties as a Descriptor for Designing Nonlinear Optics and Thermally Activated Delayed Fluorescence MaterialsBo Li, Tiejun Xiao, Feng Long Gu, et al.Journal of Computational Chemistry|November 17, 2018
A Density Functional Theory Study on Nonlinear Optical Properties of Double Cage Excess Electron Compounds: Theoretically Design M[Cu(Ag)@(NH3 )n ](M = Be, Mg and Ca; n = 1-3)Yan Ying Liang, Bo Li, Xuan Xu, et al.Physical Chemistry Chemical Physics : PCCP|May 8, 2012
An elongation method for large systems toward bio-systemsYuriko Aoki, Feng Long GuACS Nano|May 14, 2020
Large-Scale Electric-Field Confined Silicon with Optimized Charge-Transfer Kinetics and Structural Stability for High-Rate Lithium-Ion BatteriesTao Meng, Bo Li, Qiushi Wang, et al.Physical Chemistry Chemical Physics : PCCP|August 15, 2013
Effective preconditioning for ab initio ground state energy minimization with non-orthogonal localized molecular orbitalsLiang Peng, Feng Long Gu, Weitao YangJournal of Hazardous Materials|May 27, 2014
Efficient adsorption and photocatalytic degradation of Rhodamine B under visible light irradiation over BiOBr/montmorillonite compositesChengqun Xu, Honghai Wu, Feng Long GuPhysical Chemistry Chemical Physics : PCCP|February 3, 2018
Ultrafast intersystem crossing for nitrophenols: ab initio nonadiabatic molecular dynamics simulationChao Xu, Feng Long Gu, Chaoyuan ZhuPhysical Chemistry Chemical Physics : PCCP|October 10, 2017
A DFT study on the mechanism of photoselective catalytic reduction of 4-bromobenzaldehyde in different solvents employing an OH-defected TiO2 cluster modelHanlin Gan, Liang Peng, Feng Long GuPhysical Chemistry Chemical Physics : PCCP|June 30, 2020
Unraveling the enhancement mechanisms of H2S sensing on a SnO2 surface: an ab initio perspectiveYuting Liu, Chao Xu, Feng Long GuPageof 1,072