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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	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	S	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-427.8132754; Eh
	10-Nov-2025	PROD_ACT_QMMM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; wB97XD; AMBER	DUMMY MIXED	-267.127397; Eh
	10-Nov-2025	PROD_INACT_QMMM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; wB97XD; AMBER	DUMMY MIXED	-265.750455; Eh
	10-Nov-2025	RC_ACT_QMMM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; wB97XD; AMBER	DUMMY MIXED	-281.0257605; Eh
	10-Nov-2025	TS1_QMMM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; wB97XD; AMBER	DUMMY MIXED	-280.9127409; Eh
	10-Nov-2025	INT1_QMMM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; wB97XD; AMBER	DUMMY MIXED	-280.0202131; Eh
	10-Nov-2025	RC_INACT_QMMM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; wB97XD; AMBER	DUMMY MIXED	-280.9982942; Eh

Results 131-140 of 141 (Search time: 0.001 seconds).