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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	III-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-3071.61283445; Eh
	9-Apr-2026	TS7-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2906.90494667; Eh
	9-Apr-2026	VII-Co	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UPBEPBE	SDD 6-31G* GENECP*	-2852.46726622; Eh
	9-Apr-2026	FeMo	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2774.13422862; Eh
	9-Apr-2026	TS8-a	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2831.71723808; Eh
	9-Apr-2026	3TS0	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UPBEPBE	SDD 6-31G* GENECP*	-2775.24084339; Eh
	9-Apr-2026	IX	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2830.59201531; Eh
	9-Apr-2026	VII-Ru	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2801.59096922; Eh
	9-Apr-2026	I-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2961.04564201; Eh
	9-Apr-2026	I-MoS42-acn	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-1771.28989828; Eh

Results 2801-2810 of 2835 (Search time: 0.001 seconds).