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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
17-Jul-2025	A_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM06	GENECP	-2311.9329234; Eh
17-Jul-2025	IV_m062x	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	DEF2TZVP	-1410.1036095; Eh
17-Jul-2025	TS1_m062x	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM062X	DEF2TZVP	-1376.9876817; Eh
17-Jul-2025	VII_m062x	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	DEF2TZVP	-780.8525906; Eh
17-Jul-2025	V_m062x	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM062X	DEF2TZVP	-780.2294951; Eh
17-Jul-2025	Py_m062x	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	DEF2TZVP	-861.306296; Eh
17-Jul-2025	PhI_m062x	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	DEF2TZVP	-529.2656394; Eh
17-Jul-2025	VI_m062x	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	DEF2TZVP	-865.0812442; Eh
5-Feb-2026	Cz_TDDFT	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; TD-FC	6-31G(D)	-2425.36930718; Eh
5-Feb-2026	Cz_triplet	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D)	-2425.48266168; Eh

Results 12731-12740 of 12948 (Search time: 0.011 seconds).