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Showing results 21 to 40 of 46 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Dec-2021	TS(2Aendo)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ	-1769.7469154; Eh
15-Dec-2021	TS(2Aendo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7470365; Eh
15-Dec-2021	TS(2Aendo)-ost	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.71978683; Eh
15-Dec-2021	TS(2Aexo)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ	-1769.7440546; Eh
15-Dec-2021	TS(2Aexo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7444624; Eh
15-Dec-2021	TS(2Aexo)-ost	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.72033707; Eh
15-Dec-2021	TS(2Bendo)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ	-1769.739152; Eh
15-Dec-2021	TS(2Bendo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.739152; Eh
15-Dec-2021	TS(2Bendo)-ost	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.6968465; Eh
15-Dec-2021	TS(2Bexo)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ	-1769.7365712; Eh
15-Dec-2021	TS(2Bexo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7378946; Eh
15-Dec-2021	TS(2Bexo)-ost	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7184913; Eh
15-Dec-2021	TS(3Aendo)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ	-1769.738513; Eh
15-Dec-2021	TS(3Aendo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.738513; Eh
15-Dec-2021	TS(3Aendo)-ost	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVDZ	-1769.1541978; Eh
15-Dec-2021	TS(3Aexo)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ	-1769.7401465; Eh
15-Dec-2021	TS(3Aexo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7407818; Eh
15-Dec-2021	TS(3Aexo)-ost	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7171853; Eh
15-Dec-2021	TS(3Bendo)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ	-1769.7308121; Eh
15-Dec-2021	TS(3Bendo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7308121; Eh

Showing results 21 to 40 of 46 < previous next >