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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Apr-2024	HCF3	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-338.2722346; Eh
	5-Nov-2025	I-1f	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-914.033164; Eh
	2-May-2024	Ir-E-triplet	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ GEN	-1669.37212465; Eh
	2-May-2024	Ru-triplet	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ GEN	-1808.86728397; Eh
	2-May-2024	Ru	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ GEN	-1808.95291526; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ¹TS_s4	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1905.32914140; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ¹TS_s1	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1905.33998265; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ¹TS_s2	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1905.2525416; Eh
	15-Jul-2024	/Geom_Opt ³TS2ᴛʜꜰ	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1444.48457509; Eh
	15-Jul-2024	/Geom_Opt ³Eᴘʀᴄ	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-1444.48436727; Eh

Results 11251-11260 of 12842 (Search time: 0.009 seconds).