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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Aug-2020	MnIII_N-AlCo3-Eooh-b3lyp-hs-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7594.00262070; Eh
	10-Aug-2020	PCo4-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	-7757.29576165; Eh
	10-Aug-2020	PCo4-Eo-b3lyp-ls-pcm-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7756.62294521; Eh
	10-Aug-2020	Ru3_N-AlCo3-Evac-b3lyp-ls-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7432.94138964; Eh
	10-Aug-2020	Mn_N-PCo3-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	-7640.41557947; Eh
	10-Aug-2020	PCo4-Evac-b3lyp-hs-pcm-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7681.52391173; Eh
	21-Feb-2022	/hydrides Co-hydride_1u	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1004.65126085; Eh
	21-Feb-2022	/hydrides Co-hydride_3u	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1004.64890302; Eh
	13-Jun-2022	/Electronic_structure/DFs COF-Co_doublet_B3LYP	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	DEF2TZVP DEF2SVP GEN	-2528.85526859; Eh
	14-Oct-2022	/Si-H_vibrations II	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1639.13138004; Eh

Results 561-570 of 619 (Search time: 0.001 seconds).