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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-May-2024	/water-insertion/Fe0Mn5/S4/Oh Oh-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-10221.4626662; Eh
	18-May-2024	/water-insertion/Fe0Mn5/S4/Oh Oh-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10227.3370138; Eh
	18-May-2024	/electro-Sn/Fe5Mn0/S3 S3-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10714.9241695; Eh
	18-May-2024	/electro-Sn/Fe5Mn0/S0 S0-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10715.4272327; Eh
	18-May-2024	/electro-Sn/Fe5Mn0/S4 S4-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10714.7351721; Eh
	18-May-2024	/water-insertion/Fe3Mn2/S4-Mn/Oh Oh-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-10559.5441791; Eh
	18-May-2024	/water-insertion/Fe5Mn0/S3/TBP TBP-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-10785.6015490; Eh
	18-May-2024	/water-insertion/Fe3Mn2/S4-Mn/TS1 TS1-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10565.4280545; Eh
	18-May-2024	/water-insertion/Fe5Mn0/S3/Oh Oh-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-10785.5830425; Eh
	18-May-2024	/water-insertion/Fe3Mn2/S4-Mn/TS2 TS2-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10565.4264359; Eh

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