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Review on the QM/MM Methodologies and Their Application to Metalloproteins.
Molecules. 2022 Apr 20;27(9):2660. doi: 10.3390/molecules27092660.
Molecules. 2022.
PMID: 35566011
Free PMC article.
Review.
3-Input AND Molecular Logic Gate with Enhanced Fluorescence Output: The Key Atom for the Accurate Prediction of the Spectra.
Tzeliou CE, Tzeli D.
Tzeliou CE, et al.
J Chem Inf Model. 2022 Dec 26;62(24):6436-6448. doi: 10.1021/acs.jcim.2c00257. Epub 2022 Apr 19.
J Chem Inf Model. 2022.
PMID: 35439413
Item in Clipboard
Electronic Structure and Chemical Bonding of the First-, Second-, and Third-Row-Transition-Metal Monoborides: The Formation of Quadruple Bonds in RhB, RuB, and TcB.
Demetriou C, Tzeliou CE, Androutsopoulos A, Tzeli D.
Demetriou C, et al. Among authors: tzeliou ce.
Molecules. 2023 Dec 8;28(24):8016. doi: 10.3390/molecules28248016.
Molecules. 2023.
PMID: 38138506
Free PMC article.
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Metallocene-Naphthalimide Derivatives: The Effect of Geometry, DFT Methodology, and Transition Metals on Absorption Spectra.
Tzeliou CE, Tzeli D.
Tzeliou CE, et al.
Molecules. 2023 Apr 19;28(8):3565. doi: 10.3390/molecules28083565.
Molecules. 2023.
PMID: 37110799
Free PMC article.
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