Lv21
128 积分 2026-03-22 加入
Machine learning for molecular and materials science
48分钟前
待确认
A TD-DFT molecular screening for fluorescence probe based on excited-state intramolecular proton transfer of 2’-hydroxychalcone derivatives
17天前
已完结
Excited-state genistein and its methoxy derivatives with improved antioxidant activity: DFT/TD-DFT calculations, molecular docking, and molecular dynamic simulation
17天前
已完结
Mechanism-resolved structure–activity relationships in flavonoid antioxidants enabled by tail-assisted ESIPT and conformational modulation
17天前
已关闭
Unveiling antioxidant and tyrosinase inhibitory activities of ESIPT-based flavonoids: DFT/TD-DFT calculations and molecular docking
17天前
已完结
CASPT2//CASSCF studies on mechanistic photophysics of 3-hydroxyflavone
17天前
已完结
Relationship between ESIPT properties and antioxidant activities of 5-hydroxyflavone derivates*
17天前
已完结
Quantum mechanics/molecular mechanics investigation on the mechanistic photophysics of plant pigment 5,7-dihydroxyflavone in acetonitrile solution
17天前
已完结
A theoretical assignment on excited‐state intramolecular proton transfer mechanism for quercetin
17天前
已完结
Excited-State Intramolecular Proton Transfer of the Natural Product Quercetin
17天前
已完结
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