List of works - Fengyi Liu

A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation

A Total Synthesis of Paeoveitol

scientific article published on 8 July 2016

Atmospheric Chemistry of Enols: Vinyl Alcohol + OH + O2 Reaction Revisited

scientific article published on 27 March 2019

Combining the Advantages of Alkene and Azo E-Z Photoisomerizations: Mechanistic Insights into Ketoimine Photoswitches.

scientific article published on 16 March 2017

Deciphering the Mechanism of Aggregation-Induced Emission of a Quinazolinone Derivative Displaying Excited-State Intramolecular Proton-Transfer Properties: A QM, QM/MM, and MD Study

scientific article published on 05 September 2019

Development of azo-based fluorescent probes to detect different levels of hypoxia.

scientific article published on 14 October 2013

Different conical intersections control nonadiabatic photochemistry of fluorene light-driven molecular rotary motor: A CASSCF and spin-flip DFT study

scientific article published in December 2016

Exploring the Mechanism of a Chiral N-Alkyl Imine-Based Light-Driven Molecular Rotary Motor at MS-CASPT2//CASSCF and MS-CASPT2//(TD) DFT Levels

scientific article published on 22 February 2019

Halogen bonding matters: visible light-induced photoredox catalyst-free aryl radical formation and its applications

scientific article published on 30 April 2020

Hydrogen bond, ring tension and π-conjugation effects: methyl and vinyl substitutions dramatically change the photodynamics of Criegee intermediates

scientific article published on 03 July 2020

Insights into the mechanism of BN generation via boron triazide precursor: theoretical study

scientific article published on 01 September 2006

Molecular stacking character and charge transport properties of tetrabenzoheptacenes derivatives: the effects of nitrogen doping and phenyl substitution

scientific article published on 25 April 2015

Multiple pathways for the primary step of the spiropyran photochromic reaction: a CASPT2//CASSCF study.

scientific article

Photochemistry of the Simplest Criegee Intermediate, CH2OO: Photoisomerization Channel toward Dioxirane Revealed by CASPT2 Calculations and Trajectory Surface-Hopping Dynamics.

scientific article published on 8 February 2018

Reaction of AgN3 with SOCl2: evidence for the formation of thionyl azide, SO(N3)2

scientific article published on 01 August 2004

Small fullerenes with BN belts: a density functional theory investigation

scientific article published on 01 April 2006

Theoretical study of the chemiluminescent decomposition of dioxetanone