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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/ch3-EG_LG_water ch3sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-517.387909229; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-478.062354602; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-155.075557896; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3nhcho_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-209.282527408; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3ph2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-382.492539116; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3ooh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-190.922579385; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-438.737469072; Eh
	29-Oct-2019	conc_ts_to_b2hemicarb	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G(D,P)	-3226.42651216; Eh
	29-Oct-2019	b2_hemicarb	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G(D,P)	-3226.45986737; Eh
	29-Oct-2019	ts2_b2_alk	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G(D,P)	-3037.87713815; Eh

Results 16971-16980 of 103542 (Search time: 0.011 seconds).