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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Aug-2024	C60CPH-66-La-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-2914.97471525; Eh
	14-Aug-2024	C60CPH-65-La-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-2914.98706811; Eh
	14-Aug-2024	C60CPH-66-Gd-TS	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	UM062X	6-31G(D,P) SDD GENECP	-3245.17518859; Eh
	14-Aug-2024	C60CPH-65-La-TS	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	UM062X	6-31G(D,P) SDD GENECP	-2914.91292219; Eh
	14-Aug-2024	C60CPH-66-La-TS	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	UM062X	6-31G(D,P) SDD GENECP	-2914.91866494; Eh
	14-Aug-2024	La@C60	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-2720.91866673; Eh
	19-Mar-2026	/AsMoW As01Mo07W02O31-2H-iso-81512	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.49548635; Eh
	26-Aug-2024	pyrrole_phenyl_nox_HLT_m062x_ccpvtz	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	CC-PVTZ	-2397.9806066; Eh
	26-Aug-2024	pyrrole_phenyl_nox_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-2398.37814620; Eh
	8-Nov-2024	34-TpBrCF3_2Ag_CHCO2Et_CH4_Oxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3255.09285766; Eh

Results 78961-78970 of 104126 (Search time: 0.05 seconds).