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List of works by Xinyou Ma

A quantum mechanical insight into S2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl⋯CHCl pre-reaction complex with the VENUS suite of codes

scientific article published on 01 October 2018

Addressing an instability in unrestricted density functional theory direct dynamics simulations

article

Anharmonic Densities of States for Vibrationally Excited I-(H2O), (H2O)2, and I-(H2O)2

scientific article published on 20 July 2018

Chemical Dynamics Simulations of Benzene Dimer Dissociation

scientific article published on 12 June 2015

Competing E2 and SN2 Mechanisms for the F- + CH3CH2I Reaction.

scientific article published on 17 January 2017

Direct Chemical Dynamics Simulations.

scientific article published on 9 February 2017

Direct dynamics simulations of the unimolecular dissociation of dioxetane: Probing the non-RRKM dynamics

scientific article published on 01 April 2018

Is CH3NC isomerization an intrinsic non-RRKM unimolecular reaction?

scientific article published on 01 November 2019

PSO Method for Fitting Analytic Potential Energy Functions. Application to I-(H2O).

scientific article published on 18 January 2018

Perspective: chemical dynamics simulations of non-statistical reaction dynamics.

scientific article published on April 2017

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment.

scientific article published in October 2017

Potential energy surface stationary points and dynamics of the F- + CH3I double inversion mechanism

scientific article published on 20 July 2017

Pronounced changes in atomistic mechanisms for the Cl- + CH3I SN2 reaction with increasing collision energy

scientific article published on 01 January 2019

Time-Dependent Perspective for the Intramolecular Couplings of the N-H Stretches of Protonated Tryptophan

scientific article published on 30 April 2020

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