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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S3H/S3H_sp h3_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.83720742; Eh
	29-Oct-2025	/S3H/S3H_opt 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	/S3H/S3H_opt ts_h3_1ts4oa_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.89182507; Eh
	29-Oct-2025	/S3H/S3H_sp ts_h3_1ts4oa_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.89182507; Eh
	29-Oct-2025	/S3H/S3H_opt ts_h3_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.85570253; Eh
	29-Oct-2025	/S3H/S3H_opt 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	/S3H/S3H_sp ts_h3_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.85570253; Eh
	29-Oct-2025	/S3H/S3H_sp ts_h3_1ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82622375; Eh
	29-Oct-2025	/S3H/S3H_opt h3_1int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1616.89956306; Eh
	29-Oct-2025	/S3H/S3H_sp ts_h3_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1616.82816830; Eh

Results 2351-2360 of 2578 (Search time: 0.001 seconds).