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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	Mn_N-PCo3-Eo-b3lyp-ls-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7715.54898232; 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	Mn_N-PCo3-Eoh-b3lyp-hs-pcm-disp-fbb-disp-fbb-freq-forward_4e-1bb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7716.21519487; Eh
	14-Oct-2022	/Si-H_vibrations III	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1639.12818576; 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
	17-Aug-2023	gDoublet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.90477024; Eh
	17-Aug-2023	gQuartet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.89079055; Eh
	17-Aug-2023	FeOHanionradicalCHCl3_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-1626.1318382; Eh
	17-Aug-2023	aQuartet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.81789256; Eh
	17-Aug-2023	4doublet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.81166105; Eh

Results 571-580 of 626 (Search time: 0.002 seconds).