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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
12-Dec-2023	S	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-427.8132754; Eh
12-Dec-2023	TS3_	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	-	DUMMY	-3304.98803959; Eh
8-Jan-2024	3_Cl_H2O_P2	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	DEF2TZVP	-4012.0716583; Eh
8-Jan-2024	3_Cl_H2O_C_C_Prod	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	DEF2TZVP	-4012.2167923; Eh

Results 121-130 of 153 (Search time: 0.001 seconds).