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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jan-2021	P6	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
	9-Jan-2021	RP1-cuhfacac	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	GENECP	-
	22-Jun-2023	IC_O	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-3629.71965087; Eh
	28-Jun-2023	TS3_N	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	GEN	-4251.72256834; Eh
	2-Mar-2023	TS0(T)	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVPP	-4731.46267273; Eh
	2-Mar-2023	isoquinolone	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-722.942111042; Eh
	2-Mar-2023	PC3	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-1145.17943036; Eh
	2-Mar-2023	p-cym	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-388.754753376; Eh
	2-Mar-2023	MeOH	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-115.491200053; Eh
	28-Jun-2023	HONO	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-205.701054423; Eh

Results 171-180 of 230 (Search time: 0.002 seconds).