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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-May-2024	CuHTSC-kS_am_H2O	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1869.80106706; Eh
	10-May-2024	CuHTSC-kN_am_AcO	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-2022.00121328; Eh
	10-May-2024	CuHTSC-kS_am_AcO	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-2022.01285334; Eh
	10-May-2024	CuHIN_am_H2O	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1738.57510149; Eh
	10-May-2024	H2O_14_H	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-1070.74424028; Eh
	10-May-2024	H2O_14	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-1070.28441612; Eh
	10-May-2024	H2O_8	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-611.579384660; Eh
	23-Apr-2026	14-Bis-C-TS_1-2-Ms	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	B3LYP	SDD 6-31G(D,P) GEN	-26620.7152687; Eh
	23-Apr-2026	16-Bis-C-TS_2-3-Ms	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	B3LYP	SDD 6-31G(D,P) GEN	-26620.7244248; Eh
	23-Apr-2026	15-Bis-C-I2-Ms	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-26620.7248548; Eh

Results 11461-11470 of 12948 (Search time: 0.009 seconds).