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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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 s3h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1195.24483394; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s4f	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1692.60236089; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s4	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1592.61745063; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt sh	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-398.891992002; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s2_anionic	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-796.545115472; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt fs8_l	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3285.29912020; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s5_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1991.12093848; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s3_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1194.74916965; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s4_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1592.94013765; Eh

Results 2401-2410 of 2578 (Search time: 0.001 seconds).