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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S2F/SF2_opt f2_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1317.82745711; Eh
	29-Oct-2025	/S9/S9_sp 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	/SF/SF_opt ts_f_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-919.643513708; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s3_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1194.8919122; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s8_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3186.0110985; Eh
	29-Oct-2025	/S2_triplet/S2_triplet_opt s2_3ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-1217.87784590; Eh
	29-Oct-2025	/S2F/SF2_opt f2_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1317.84030232; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1ts5o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.94303476; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s2h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-797.065076750; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s7	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2787.19056119; Eh

Results 2361-2370 of 2546 (Search time: 0.001 seconds).