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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	AFtskcn4attack_scan1561_3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.49818271; Eh
	28-Aug-2024	AFtskcn4attack_scan1561_2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.49907808; Eh
	28-Aug-2024	AFtskcn4attack_scan1561_4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.49620208; Eh
	29-Jul-2024	TSB2b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1305.15466494; Eh
	11-Sep-2024	TS(VII´-VIIIa´)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G LANL2DZ GENECP*	-1226.38918959; Eh
	11-Sep-2024	TS(VII´-VIIIc´)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G LANL2DZ GENECP*	-1226.39927571; Eh
	11-Sep-2024	TS(VII´-VIIIb´)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G LANL2DZ GENECP*	-1226.39827413; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_132 disp_132	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60841693; eV
	28-Aug-2024	AFtsc120cn_2c_dissockcn4_scan6190_7	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-5056.76917519; Eh
	28-Aug-2024	AFtsc120cn_2c_dissockcn4_scan6190_8	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-5056.76875903; Eh

Results 471-480 of 100136 (Search time: 0.004 seconds).