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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_1int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1317.92207042; 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	/S2F/SF2_opt f2_1ts4oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1317.89698646; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s4h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1593.42210462; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s5	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2052.99200752; Eh
	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	/reac_prod_actspec_cyc/opt s2_radical	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-796.314857855; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s7_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2787.47533587; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s8_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3185.64973456; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s9h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3584.28287826; Eh

Results 2391-2400 of 2578 (Search time: 0.001 seconds).