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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3seh-OTf-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-3403.83352508; Eh
	30-Sep-2021	/Water/TS_water ch3OTf-OTs-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1896.65744674; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sh ch3sh-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-531.728920464; Eh
	30-Sep-2021	/Water/TS_water ch3OTf-ph2-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1344.20918197; Eh
	30-Sep-2021	/Water/TS_water ch3OTf-nh2-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1057.58288341; Eh
	30-Sep-2021	/DCM/TS_DCM ch3cf3-OTf-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1339.36893300; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-377.687211014; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-nhcho_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-222.557168731; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-ncch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-227.635528960; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-491.359498100; Eh

Results 60011-60020 of 104128 (Search time: 0.035 seconds).