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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Mar-2026	TS2b	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-6627.6068522; Eh
12-Mar-2026	Anthraquinone3	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-688.5489147; Eh
12-Mar-2026	ZnCl2c	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-2699.8847422; Eh
12-Mar-2026	ZnCl2b	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-2699.8701124; Eh
12-Mar-2026	TS1	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1227.7812646; Eh
16-Jul-2026	16_TSI_hfip	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	B3LYP	6-31G(D,P) SDD GEN	-2215.78037383; Eh
16-Jul-2026	24_TSII_hfip_OUT_S	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	B3LYP	6-31G(D,P) SDD GEN	-2600.73250082; Eh
16-Jul-2026	25_TSII_hfip_IN_R	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	B3LYP	6-31G(D,P) SDD GEN	-2600.73230792; Eh
16-Jul-2026	26_TSII_hfip_IN_S	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	B3LYP	6-31G(D,P) SDD GEN	-2600.73313420; Eh

Results 103561-103569 of 103569 (Search time: 0.06 seconds).