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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Apr-2026	TS6-Co-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UPBEPBE	SDD 6-31G* GENECP*	-3094.66354581; Eh
	9-Apr-2026	I-side-on	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2884.67308461; Eh
	9-Apr-2026	TS4-nh3	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2942.35295166; Eh
	9-Apr-2026	VI-a	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2885.85901640; Eh
	9-Apr-2026	TS9-a	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2831.71967660; Eh
	9-Apr-2026	TS6-a	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2886.98695459; Eh
	9-Apr-2026	H2-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-31G* GEN*	-1.16198557154; Eh
	9-Apr-2026	VI-Co-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UPBEPBE	SDD 6-31G* GENECP*	-3094.69089202; Eh
	9-Apr-2026	femo-sideon	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2883.45990703; Eh
	9-Apr-2026	TS8-a-N2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2997.59418164; Eh

Results 2661-2670 of 2835 (Search time: 0.002 seconds).