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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Apr-2026	X	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2831.77299281; Eh
	9-Apr-2026	VIII-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2906.92422763; Eh
	9-Apr-2026	VI-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-3072.78476307; Eh
	9-Apr-2026	TS6-a-N2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2996.38153400; Eh
	9-Apr-2026	Fe-sideon	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2883.48025277; Eh
	9-Apr-2026	H2-MoS42-acn	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-1661.89370102; Eh
	9-Apr-2026	V-a	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2885.82583963; Eh
	9-Apr-2026	TS9	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2831.73682983; Eh
	9-Apr-2026	N2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-31G* GEN*	-109.401850009; Eh
	9-Apr-2026	TS10-a-N2-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-3017.50365066; Eh

Results 2721-2730 of 2835 (Search time: 0.001 seconds).