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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jul-2020	RL1_product	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SVP	-672.062139633; Eh
	25-Aug-2020	/Ni_dppf_alkyl/Nidppf2 G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-8027.2252504; Eh
	26-Aug-2024	geom136_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5214192; Eh
	24-Jan-2020	/opt_freq/Cu/CH3 hcp_rot	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-153.86246725; eV
	24-Jan-2020	/opt_freq/Ir/CH3 hcp2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-302.30684336; eV
	24-Jan-2020	/opt_freq/Cu/CH2 top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-149.09156181; eV
	24-Jan-2020	/opt_freq/Ir/CH2 top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-298.63180008; eV
	24-Jan-2020	/opt_freq/Fe/Br sb	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-288.95744077; eV
	21-Jul-2020	LL2_product	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SVP	-1056.70133348; Eh
	21-Jul-2020	LL1_product	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SVP	-1056.70105418; Eh

Results 16571-16580 of 104515 (Search time: 0.017 seconds).