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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
10-Nov-2025	PROD_INACT_WT_CM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-311+G(2D,2P)	-4385.3991521; Eh
10-Nov-2025	PROD_ACT_WT_CM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-311+G(2D,2P)	-4385.3979661; Eh
10-Nov-2025	INT1_D60N_CM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-311+G(2D,2P)	-4563.7749934; Eh
10-Nov-2025	TS_PROT_WT_CM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-311+G(2D,2P)	-4385.4068324; Eh
10-Nov-2025	TS1_WT_CM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-311+G(2D,2P)	-4385.3901214; 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
10-Nov-2025	TS2_QMMM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	ONIOM; wB97XD; AMBER	DUMMY MIXED	-274.9710234; Eh
10-Nov-2025	RC_INACT_WT_CM	Duran, Cristina	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-311+G(2D,2P)	-4385.4057658; Eh

Results 6091-6098 of 6098 (Search time: 0.007 seconds).