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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	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	Ru3_N-AlCo3-Evac-b3lyp-mul13-pcm	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7432.93080992; Eh
	10-Aug-2020	Eooh_Ru_N-Al-b3lyp-ls-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7583.92150041; 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-Evac-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	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
	10-Aug-2020	AlCo4-Eoh-b3lyp-ls-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7560.08706500; Eh
	21-Feb-2022	/silane_reactivity TSe	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1720.85851205; 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	/silane_reactivity TSf	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1796.11762471; Eh

Results 671-680 of 907 (Search time: 0.002 seconds).