ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
20
21
22
23
24
25
26
...
1236
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jan-2025	Me2phen_Cu_H2O_2	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1000.33469887; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Sb	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1984.37036222; Eh
	10-Sep-2025	Li(THF)3TMP	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-1113.62017026; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Se	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1885.14704617; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Sc	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1984.37985729; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ STS2	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1885.13165997; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Sf	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1885.15362507; Eh
	10-Sep-2025	Li(THF)3Bpin	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-1191.67771169; Eh
	10-Sep-2025	ketone	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-309.916363096; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Bf	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1887.19187548; Eh

Results 221-230 of 12354 (Search time: 0.004 seconds).