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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2019	/Gas_Opt/wB97XD/IC IC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G**	-1490.76476308; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/FC FC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G**	-1679.36538643; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Int1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1502.3602408; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/CC/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-499.6520499; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/CC CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-499.641728548; Eh
	11-Apr-2021	/Diels_Alder ma9-mixb	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-579.005974965; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Int2_l/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1690.9488795; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G**	-1690.88918522; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Int2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1690.9475723; Eh
	8-Nov-2018	/water/complexes aq-sime3fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1453.7123772; Eh

Results 3291-3300 of 104079 (Search time: 0.005 seconds).