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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Nov-2020	/DPC/re-position CAS_DPC_re-position_TSprim_OH	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-113.0414472; Eh
	2-Nov-2020	/DPC/re-position CAS_DPC_re-position_Pprim_OH	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-101.0602341; Eh
	2-Nov-2020	/DPC/direct CAS_DPC_direct_P_OH	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-81.2517094; Eh
	2-Nov-2020	/DPC/direct CAS_DPC_direct_ES	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-267.1498079; Eh
	28-Jul-2022	dmbutanoic_TSIV-IV_ohrebound-S1	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVPP	-2609.2875018; Eh
	28-Jul-2022	dmbutanoic_TSV_carb-IV-S2	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVPP	-2609.2586661; Eh
	28-Jul-2022	dmbutanoic_TSV_carb-IV-S1	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVPP	-2609.258697; Eh
	28-Jul-2022	dmbutanoic_VII-S1	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVPP	-2609.3757232; Eh
	28-Jul-2022	dmbutanoic_VII-S2	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVPP	-2609.3956941; Eh
	28-Jul-2022	dmbutanoic_V_carb-S1	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVPP	-2609.2772965; Eh

Results 51-60 of 100 (Search time: 0.0 seconds).