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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2019	Sys1_T1	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RM062X	-	-1658.77152470; Eh
	19-Mar-2026	/VW V01W11O39-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.99206459; Eh
	6-May-2019	CP-2Pd-i21	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1124.42801099; eV
	6-May-2019	CP-2Pd-i18	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1116.01483000; eV
	6-May-2019	CP-2Pd-i20	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1116.19775161; eV
	11-Apr-2021	/N_sulfonylguanidine sa-ptol-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-875.351820784; Eh
	30-Jan-2019	/Solv_Opt/B97D3/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1690.67350078; Eh
	2-May-2019	cat5_TS4antireB_sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB97D	-	-2715.9072865; Eh
	2-May-2019	cat5_TS4synsiB_sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB97D	-	-2715.8994053; Eh
	2-May-2019	cat5_TS4synsiB	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB97D	-	-2715.71374401; Eh

Results 1171-1180 of 104079 (Search time: 0.004 seconds).