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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	SP_methyletherhelix00c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1309.4952173; Eh
	28-Aug-2024	SP_methyletherhelix00d	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1309.4960158; Eh
	28-Aug-2024	SP_methyletherhelix00b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1309.4949604; Eh
	28-Aug-2024	SP_methyletherhelix00a	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1309.4952612; Eh
	28-Aug-2024	SP_methyletherhelix0a	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1309.4951327; Eh
	28-Aug-2024	SP_methyletherhelix0d	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1309.4955491; Eh
	28-Aug-2024	SP_methyletherhelix0c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1309.4955982; Eh
	28-Aug-2024	SP_methyletherhelix0b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1309.4952366; Eh
	28-Aug-2024	methyletherhelix1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1348.36525023; Eh
	16-Jan-2026	/slab_pt13/Pt13_with_reduction/mount/mn95/ceria_cluster/calcs/initial_adsorptions/100/pt13/bjork_hammer/4x4_slab/1/new_fix_model/ori/sampling/1ce3/sec/ce3_16/chgs/co_ads/13 13	Li, Lulu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-1600.60587451; eV

Results 91181-91190 of 103529 (Search time: 0.053 seconds).