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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3ooh-nh2-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-246.935731535; Eh
	11-Apr-2021	/N_sulfonylguanidine n4-i1add-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1631.32842962; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts Int_N_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-848.876635787; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts I_N_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-696.090842746; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS1NW_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-848.868970664; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS2WW_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-711.648793630; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS2NW_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-848.850284638; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS2N_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-772.444449078; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS1WW_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-711.663536498; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS1N_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-772.461322317; Eh

Results 341-350 of 12842 (Search time: 0.003 seconds).