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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Nov-2017	3bis_Fe	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
6-Nov-2017	TS1011_Fe	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
6-Nov-2017	TS23_Fe	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
6-Nov-2017	TS12_Fe	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
6-Nov-2017	4_Fe	Borowski, Tomasz	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; B3LYP; AMBER	-	-
12-Dec-2023	TS2	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-414.8376267; Eh
12-Dec-2023	TS1	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-427.0197216; Eh
12-Dec-2023	I1	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-413.0857213; Eh
12-Dec-2023	I2	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-413.7969029; Eh
12-Dec-2023	P	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-368.9709642; Eh

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