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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 fs7	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2887.12532884; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt fs6	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2488.94906966; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s6	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2389.01715078; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-796.279781395; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-398.319998376; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt f_anion	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-99.8797140747; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt 4	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1218.00018452; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s9_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3583.82346797; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt 2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-421.584248850; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt sf2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-896.257808330; Eh

Results 2411-2420 of 2578 (Search time: 0.001 seconds).