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Browsing by Author Fernandez, Gilberto

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
16-Sep-2025	1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-807.466762260; Eh
16-Sep-2025	1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-807.487132797; Eh
22-Jan-2025	12	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-953.568483812; Eh
22-Jan-2025	13	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1116.36146008; Eh
22-Jan-2025	14	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1116.34786715; Eh
22-Jan-2025	15	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-954.773700113; Eh
22-Jan-2025	16	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-954.756851453; Eh
22-Jan-2025	16a	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-1117.57786942; Eh
22-Jan-2025	17	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-955.992853936; Eh
22-Jan-2025	17a	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-1117.62525185; Eh
16-Sep-2025	2	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-969.067515892; Eh
16-Sep-2025	2	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-969.104585649; Eh
16-Sep-2025	3	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-271.172217851; Eh
16-Sep-2025	3	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-271.182181042; Eh
22-Jan-2025	6	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	DEF2SVP	-956.027380752; Eh
22-Jan-2025	a-ts12	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-1142.91366105; Eh
22-Jan-2025	a-ts16	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-989.372587885; Eh
22-Jan-2025	a-ts17	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-1272.26975591; Eh
16-Sep-2025	AcO_anion	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP	-228.059294151; Eh
16-Sep-2025	Ag2OAc2	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GENECP	-749.630116596; Eh

Showing results 1 to 20 of 630 next >