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Showing results 1 to 14 of 14

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jun-2023	FC	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-3500.41592507; Eh
	28-Jun-2023	HONO	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-205.701054423; Eh
	28-Jun-2023	IC_N	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-3629.71470483; Eh
	28-Jun-2023	IM1_N	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-4251.74665573; Eh
	28-Jun-2023	IM2_N_d	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-4251.72173844; Eh
	28-Jun-2023	IM2_N_q	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-4251.72311075; Eh
	28-Jun-2023	PC_N	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-4251.74240743; Eh
	28-Jun-2023	PC_O	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-4251.74294437; Eh
	28-Jun-2023	RC_N	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-4251.78927650; Eh
	28-Jun-2023	RC_O	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-4251.78291205; Eh
	28-Jun-2023	TS1_N	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	GEN	-4251.73929273; Eh
	28-Jun-2023	TS2_N	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	GEN	-4251.71903502; Eh
	28-Jun-2023	TS3_N	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	GEN	-4251.72256834; Eh
	28-Jun-2023	TS_O	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	GEN	-4251.73723035; Eh

Showing results 1 to 14 of 14