Molecular Dynamics Simulation of the Excited-State Proton Transfer Mechanism in 3-Hydroxyflavone Using Explicit Hydration Models

Yingchao Li, Farhan Siddique, Adelia Aquino, Hans Lischka

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	5765-5778
Journal	Journal of Physical Chemistry A
DOIs	https://doi.org/10.1021/acs.jpca.1c03687
State	Published - Jul 2021

Access to Document

@article{1ed23cf884db413bb362345699442867,

title = "Molecular Dynamics Simulation of the Excited-State Proton Transfer Mechanism in 3-Hydroxyflavone Using Explicit Hydration Models",

author = "Yingchao Li and Farhan Siddique and Adelia Aquino and Hans Lischka",

year = "2021",

month = jul,

doi = "10.1021/acs.jpca.1c03687",

language = "English",

pages = "5765--5778",

journal = "Journal of Physical Chemistry A",

}

TY - JOUR

T1 - Molecular Dynamics Simulation of the Excited-State Proton Transfer Mechanism in 3-Hydroxyflavone Using Explicit Hydration Models

AU - Li, Yingchao

AU - Siddique, Farhan

AU - Aquino, Adelia

AU - Lischka, Hans

PY - 2021/7

Y1 - 2021/7

U2 - 10.1021/acs.jpca.1c03687

DO - 10.1021/acs.jpca.1c03687

M3 - Article

SP - 5765

EP - 5778

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

ER -