Ganglong Cui
0000-0002-9752-1659
87 papers found
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Photophysics of a UV-B Filter 4-Methylbenzylidene Camphor: Intersystem Crossing Plays an Important Role
Photoinduced Curtius rearrangements of fluorocarbonyl azide, FC(O)N3: a QM/MM nonadiabatic dynamics simulation
Electronic structure calculations and nonadiabatic dynamics simulations of excited-state relaxation of Pigment Yellow 101
QM/MM studies on ozonolysis of α-humulene and Criegee reactions with acids and water at air–water/acetonitrile interfaces
QM and ONIOM Studies on Thermally Activated Delayed Fluorescence of Copper(I) Complexes in Gas Phase, Solution, and Crystal
Ti3C2Tx(T = F, OH) MXene nanosheets: conductive 2D catalysts for ambient electrohydrogenation of N2to NH3
Theoretical studies of spin state-specific [2 + 2] and [5 + 2] photocycloaddition reactions of n -(1-penten-5-yl)maleimide
Quantum Mechanics/Molecular Mechanics Study on the Photoreactions of Dark- and Light-Adapted States of a Blue-Light YtvA LOV Photoreceptor
QM/MM nonadiabatic dynamics simulations on photoinduced Wolff rearrangements of 1,2,3-thiadiazole
Mechanistic insights into the light-driven hydrogen evolution reaction from formic acid mediated by an iridium photocatalyst
Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study
A theoretical study of the light-induced cross-linking reaction of 5-fluoro-4-thiouridine with thymine
Covalent-reaction-induced interfacial assembly to transform doxorubicin into nanophotomedicine with highly enhanced anticancer efficiency
Three-state conical intersection optimization methods: development and implementation at QM/MM level
Photoisomerization of Arylazopyrazole Photoswitches: Stereospecific Excited-State Relaxation
Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations
QM/MM Study on Mechanistic Photophysics of Alloxazine Chromophore in Aqueous Solution
Mechanistic Photochemistry of Methyl-4-hydroxycinnamate Chromophore and Its One-Water Complexes: Insights from MS-CASPT2 Study
Theoretical study on photooxidation mechanism of ruthenium complex [Ru(II)-(bpy)2(TMBiimH2)]2+with molecular oxygen
Excited-State Intramolecular Proton Transfer in a Blue Fluorescence Chromophore Induces Dual Emission
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