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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Dec-2021	cHT_anion_npa	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-884.9289027; Eh
15-Dec-2021	TS(1Aexo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.719221; 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	int(2Aendo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7641779; Eh
15-Dec-2021	int(2Aexo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7628332; Eh
15-Dec-2021	TS(int2Aexo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7513352; Eh
15-Dec-2021	TS(int2Aendo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.754274; Eh
15-Dec-2021	cHT_cation_npa	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-884.6521004; 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(3Aexo)-oss	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ	-1769.7407818; Eh

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