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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
29-Aug-2024	/NF-SOL NF-SOL-RA	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1209.52964459; Eh
29-Aug-2024	/NF-SOL NF-SOL-PA	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1209.54287775; Eh
29-Aug-2024	/NF-SOL NF-SOL-TS2	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-1209.51169835; Eh
29-Aug-2024	/NF-SOL NF-SOL-TS1	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-1209.51823635; Eh
17-Jul-2025	ts2_21c__m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	GENECP	-4508.9348587; Eh
17-Jul-2025	ts4a_m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	GENECP	-7111.3867675; Eh
17-Jul-2025	ts4_m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	GENECP	-7230.0221667; Eh
17-Jul-2025	ts2__m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	GENECP	-4508.9514395; Eh
17-Jul-2025	ts2_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM06	GENECP	-4508.9313912; Eh
17-Jul-2025	ts3_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	GENECP	-4286.0425463; Eh

Results 11541-11550 of 12842 (Search time: 0.008 seconds).