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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2024	/Ni/BS1/PCF3_3 A3	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-2240.98433766; Eh
	9-May-2024	/Ni/BS1/PCF3_3 A2	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-4328.28589145; Eh
	9-May-2024	/Ni/BS1/PCF3_3 A1	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-4328.26691411; Eh
	9-May-2024	/Ni/BS1/PCF3_3 TMTS	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-2240.95399557; Eh
	9-May-2024	/Ni/BS1/PCF3_3 A5	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1988.53134159; Eh
	9-May-2024	/Ni/BS1/PCF3_3 A0	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-2879.37604027; Eh
	16-Jan-2026	/FG_dataset/amidines/pt/111 pt-4aZj-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-374.02638946; eV
	16-Jan-2026	/FG_dataset/group3S/cu/111 cu-26S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-216.48482909; eV
	26-Aug-2024	geom15_nox2_w7_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-1182.3789332; Eh
	26-Aug-2024	geom26_nox_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1164.2815998; Eh

Results 72681-72690 of 104128 (Search time: 0.045 seconds).