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The method to calculate rate constant following the convent..:

Nguyen Thi Hoa ; Do Thi My Hang ; Do Phu Hieu...
doi:10.6084/m9.figshare.15041631.v1. , 2021

Link: https://doi.org/10.6084/m9.figshare.15041631.v1

RT Journal
T1 <Title>The method to calculate rate constant following the conventional transition state theory;The Cartesian coordinates and energies of TS of the reaction between SFR with HOO• at the M06-2x/6-311++G(d,p) calculating method following the mechanisms in the studied environments;kinetic input;thermodynamic input;IRC plots for the transition states related to the reaction of HOO• radical with SFR compound from The hydroperoxyl radical scavenging activity of sulfuretin: insights from theory</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftroysocietyfig:oai:figshare.com:article_15041631&Exemplar=1&LAN=DE
				
A1 Nguyen Thi Hoa
A1 Do Thi My Hang
A1 Do Phu Hieu
A1 Huynh Van Truong
A1 Loc Phuoc Hoang
A1 Adam Mechler
A1 Quan V. Vo
YR 2021
K1 Medicinal and Biomolecular Chemistry not elsewhere classified
K1 Theoretical and Computational Chemistry not elsewhere classified
K1 sulfuretin
K1 DFT study
K1 antioxidants
K1 antiradical activity
K1 flavonoids
JF doi:10.6084/m9.figshare.15041631.v1
LK http://dx.doi.org/https://doi.org/10.6084/m9.figshare.15041631.v1
DO https://doi.org/10.6084/m9.figshare.15041631.v1
SF ELIB - SuUB Bremen

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