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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 ch3cn-sh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-531.680687876; Eh
	30-Sep-2021	/Water/TS_water ch3sh-nh2-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-494.752430761; Eh
	30-Sep-2021	/DCM/EG_LG_DCM nhcho_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-169.452243694; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3c6h5_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-271.644590849; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-477.717054222; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3cf3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-377.691673952; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3hcooo_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-304.292891920; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3hse_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-2442.07314079; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-132.803099484; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-139.792658813; Eh

Results 9861-9870 of 12842 (Search time: 0.008 seconds).