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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2019	cat4_TS4synsiB	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB97D	-	-2766.58227054; Eh
	2-May-2019	cat4_TS4synsiA	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB97D	-	-2766.58375490; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts I_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-558.886117820; Eh
	30-Sep-2021	/Water/TS_water ch3ooh-nh3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-247.456192865; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts I_N_W_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-848.887022197; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts I_N_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-772.487131135; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts I_W_W_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-711.674918763; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts I_W_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-635.280131205; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS1W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-635.260370906; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS2_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-558.816314139; Eh

Results 211-220 of 12842 (Search time: 0.003 seconds).