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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
30-Sep-2021	/Water/TS_water ch3ooh-cn-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-283.863055056; Eh
28-Jan-2019	Sys2_I1	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1850.54030771; Eh
28-Jan-2019	Sys2_I2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1850.52451029; Eh
28-Jan-2019	Sys2_I3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1741.09884662; Eh
28-Jan-2019	Sys2_T5	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1741.06517107; Eh
28-Jan-2019	Sys1_T1	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RM062X	-	-1658.77152470; Eh
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
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

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