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

Search

previous
1
...
126
127
128
129
130
131
132
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Apr-2026	43-TpMs	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	B3LYP	6-31G(D,P) GEN	-1749.65842805; Eh
	23-Apr-2026	41-MAC	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	B3LYP	6-31G(D,P) GEN	-251.856484867; Eh
	23-Apr-2026	54-TpBr3Cu-MAC	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-24288.9866004; Eh
	23-Apr-2026	53-TpBr3Cu-NCMe	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-24169.8474843; Eh
	23-Apr-2026	57-TpMe2Cu-MAC	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-1387.73130425; Eh
	23-Apr-2026	51-TpMsCu-MAC	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-2198.93422764; Eh
	23-Apr-2026	01-TpMsCuMAC	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-2198.93422764; Eh
	23-Apr-2026	55-TpMe2Cu	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-1135.79570230; Eh
	23-Apr-2026	52-TpBr3Cu	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-24037.0439213; Eh
	23-Apr-2026	42-CuMAC	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-449.155000602; Eh

Results 1281-1290 of 12842 (Search time: 0.005 seconds).