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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Sep-2021	da_c60_R-56	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-2481.1828758; Eh
	19-Oct-2022	PMI5-NH2-NO2	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RHF	AUG-CC-PVDZ	-724.1759941; Eh
	28-Jul-2022	hexanoic-TS_oxo-gamma-S1	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVPP	-2609.2828292; Eh
	13-Sep-2021	methoxyethene-exo-TS	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-573.1075954; Eh
	28-Jul-2022	hexanoic-TS_oxo-delta-S1	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVPP	-2609.2881913; Eh
	13-Sep-2021	methoxyethene-exo-R	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-573.1392053; Eh
	28-Jul-2022	KIE_RC_S1	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVPP	-4883.5405296; Eh
	19-Oct-2022	PMI5-NH2-CHO	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RHF	AUG-CC-PVDZ	-633.4412739; Eh
	28-Jul-2022	KIE_RC_S2	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVPP	-4883.5243857; Eh
	13-Sep-2021	methoxyethene-endo-p-TS	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-573.1072566; Eh

Results 11-20 of 469 (Search time: 0.001 seconds).