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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S7F/S7F_sp ts_f7_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3309.2089614; Eh
	29-Oct-2025	/S7F/S7F_sp ts_f7_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3309.2025317; Eh
	29-Oct-2025	/S7F/S7F_sp f7_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3309.215744; Eh
	29-Oct-2025	/S3H/S3H_sp h3_1ts3oa_fixed	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.85873172; Eh
	29-Oct-2025	/S7F/S7F_opt ts_f7_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3308.68669557; Eh
	29-Oct-2025	/S3H/S3H_sp ts_h3_1ts5o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.89071208; Eh
	29-Oct-2025	/S7F/S7F_opt ts_f7_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3308.69825116; Eh
	29-Oct-2025	/S3H/S3H_sp h3_1int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.89956306; Eh
	29-Oct-2025	/S7F/S7F_opt f7_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3308.69959775; Eh
	29-Oct-2025	/S3H/S3H_sp h3_1int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.89537995; Eh

Results 2341-2350 of 2578 (Search time: 0.001 seconds).