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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Aug-2023	tBuPh_C5_OH_MeOH_C70	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-
2-Aug-2023	tBuPh_C5_OH_MeOH_C60	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	VSTO-6G	-
10-Feb-2019	I1__AdCN	Lledó, Agustí	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RPM6	-	-
10-Feb-2019	I3_AdCN	Lledó, Agustí	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RPM6	-	-
10-Feb-2019	V_AdCN	Lledó, Agustí	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RPM6	-	-
10-Feb-2019	I2_AdCN	Lledó, Agustí	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RPM6	-	-
10-Feb-2019	K_AdCN	Lledó, Agustí	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RPM6	-	-
10-Feb-2019	I4_AdCN	Lledó, Agustí	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RPM6	-	-
13-Sep-2019	Calix5OMe_perylene	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	-	-
13-Sep-2019	Calix5OMe_coronene	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	-	-

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