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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Feb-2019	alledo10	Lledó, Agustí	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	-	-
2-Feb-2019	alledo09	Lledó, Agustí	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	-	-
19-Feb-2019	alledo14	Lledó, Agustí	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	-	-
19-Feb-2019	alledo13	Lledó, Agustí	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	-	-
13-Sep-2021	da_c60_TS-66	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-2481.162827; Eh
2-Oct-2021	/lin/ox1 s_lin_t_44_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8744546; Eh
2-Oct-2021	/lin/ox2 s_lin_t_44_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6124207; Eh
2-Oct-2021	/lin/ox3 z_lin_t_24_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3371786; Eh
3-Oct-2019	TS_66_CONCERTED	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	-	-2785.21244452; Eh
12-Jun-2019	/OPTFREQ TS_A53AA_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	-	-1530.98246498; Eh

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