Advanced search

Authors whose works are in public domain in at least one jurisdiction

List of works by Chao Xu

An excited-state Wolff rearrangement reaction of 5-diazo Meldrum's acid: an ab initio on-the-fly nonadiabatic dynamics simulation

scientific article published on 01 September 2018

Automatic Approach to Explore the Multireaction Mechanism for Medium-Sized Bimolecular Reactions <i>via</i> Collision Dynamics Simulations and Transition State Searches

scientific article published on 21 January 2022

Probing the π → π* photoisomerization mechanism of trans-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulations.

scientific article published in September 2018

Quantum yields of singlet and triplet chemiexcitation of dimethyl 1,2-dioxetane: ab initio nonadiabatic molecular dynamic simulations

scientific article published on 11 May 2020

Theoretical study on the reaction mechanism of OH radical with Z(E)-CF3CH[double bond, length as m-dash]CHF

scientific article published on 02 January 2019

Paulina is supported by:

About Paulina

Help