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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Sep-2021	SCO_B3LYP_S12_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVP	-4077.63667940; Eh
	27-Sep-2021	SCO_B3LYP_S11_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVP	-8013.55948049; Eh
	27-Sep-2021	SCO_B3LYP_S13_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVP	-2673.37900374; Eh
	27-Sep-2021	SCO_B3LYP_S13_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	DEF2TZVP	-2673.37767051; Eh
	27-Sep-2021	SCO_B3LYP_S14_LS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	GENECP	-3460.79465824; Eh
	27-Sep-2021	SCO_B3LYP_S14_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	GENECP	-3460.79217869; Eh
	10-Aug-2020	Ru_N-AlCo3-Eoh-b3lyp-ls-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7508.90080082; Eh
	10-Aug-2020	Fe_N-AlCo3-Evac-b3lyp-hs-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7462.67548128; Eh
	10-Aug-2020	GeCo4-Eoh-b3lyp-ls-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-11224.2975612; Eh
	10-Aug-2020	Fe_N-AlCo3-EoohIV-b3lyp-ls-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7613.45008350; Eh

Results 541-550 of 619 (Search time: 0.002 seconds).