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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S9H/S9H_sp f9_1int1o_3	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4006.4180193; Eh
	29-Oct-2025	/S9H/S9H_opt ts_f9_1ts1o_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.85942448; Eh
	29-Oct-2025	/S9H/S9H_opt ts_f9_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.85300211; Eh
	29-Oct-2025	/S9/S9_opt ts_2_s9_ts3oa_5	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.44412527; Eh
	29-Oct-2025	/S9/S9_opt ts_s9_ts1n_4	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.39147483; Eh
	29-Oct-2025	/S9/S9_opt s9_ts4oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.46665892; Eh
	29-Oct-2025	/S9/S9_opt s9_ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.43854738; Eh
	29-Oct-2025	/S9/S9_opt s9_ts3ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-819.780366064; Eh
	29-Oct-2025	/S9/S9_opt s9_ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.40155354; Eh
	29-Oct-2025	/S9/S9_opt s9_int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-4005.47357924; Eh

Results 2271-2280 of 2578 (Search time: 0.001 seconds).