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Collection hits:

Collection Name
Mecanochemical 17O Enrichment of Polyoxometalates

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Mar-2025	/P2W15Mo3_XII Mo1H_quin	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.34090146; Eh
	31-Mar-2025	/P2W15Mo3_XII Mo2H_2_quin	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.33944927; Eh
	31-Mar-2025	/P2W15Mo3_XII Mo2H_2_sing	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.33033745; Eh
	31-Mar-2025	/CASSCF_Calculations_on_XII_reduced_species Mo3H_Trip_CASSCF_12_12	Puiggalí I Jou, Jordi	Molcas; 23.10	Single point	CASSCF	LANL2DZ 6-31G	-
	18-Dec-2025	I3-Oterminal	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP GEN	-1991.46905461; Eh
	18-Dec-2025	I1-Obridge	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP GEN	-1991.46885976; Eh
	18-Dec-2025	I2-Obridge	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP GEN	-1991.67316703; Eh
	18-Dec-2025	mo6-h2o-Obridge	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP GEN	-1991.70013279; Eh
	18-Dec-2025	mo6-h2o-Obridge	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP GEN	-1915.10774451; Eh

Results 2221-2230 of 2578 (Search time: 0.002 seconds).