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The Journal of Chemical Physics|July 10, 2009
Molecular dissociation of hydrogen peroxide (HOOH) on a neural network ab initio potential surface with a new configuration sampling method involving gradient fittingHung M Le, Sau Huynh, Lionel M Raff
The Journal of Physical Chemistry. A|September 6, 2011
Molecular dynamics investigations of ozone on an ab initio potential energy surface with the utilization of pattern-recognition neural network for accurate determination of product formationHung M Le, Thach S Dinh, Hieu V Le
Physical Chemistry Chemical Physics : PCCP|October 15, 2013
First-principles modeling of C60-Cr-graphene nanostructures for supporting metal clustersHung M Le, Hajime Hirao, Yoshiyuki Kawazoe, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|November 11, 2016
Adjusting band gap and charge transfer of organometallic complex adsorbed on MoS2 monolayer using vertical electric-field: a first-principles investigationViet Q Bui, Hung M Le, Yoshiyuki Kawazoe, et al.
The Journal of Physical Chemistry. A|January 8, 2016
Ab Initio Investigation of O-H Dissociation from the Al-OH2 Complex Using Molecular Dynamics and Neural Network FittingThi H Ho, Nguyen-Nguyen Pham-Tran, Yoshiyuki Kawazoe, et al.
Dalton Transactions (Cambridge, England : 2003)|June 15, 2021
Ensemble effects on allylic oxidation within explicit solvation environmentsHung M Le, Mariano Guagliardo, Anne E V Gorden, et al.
Current Sports Medicine Reports|February 9, 2021
Point-of-Care Ultrasound, the New Musculoskeletal Physical ExaminationSarah S Jackson, Hung M Le, Deanna L Kerkhof, et al.
Journal of Computational Chemistry|May 12, 2021
Dissociation of hydrogen peroxide in water and methanol through a biased molecular dynamics investigationHieu C Dong, Thi H Ho, Thu M Nguyen, et al.
Physical Chemistry Chemical Physics : PCCP|August 9, 2020
Reaction probability and kinetics of water splitting on the penta-NiAs2 monolayer from an ab initio molecular dynamics investigationThi H Ho, Hieu C Dong, Viet Q Bui, et al.
ACS Omega|July 14, 2020
Induced Magnetism of the MoS2 Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic Ab Initio Collision Dynamics InvestigationThi H Ho, Hieu T Hoang, Hieu C Dong, et al.
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