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

Search

previous
1
...
4826
4827
4828
4829
4830
4831
4832
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	MECP_S=1_2_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-31G(D,P) SDD GEN	-1978.68949922; Eh
	7-Mar-2023	Int-V_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1978.69438425; Eh
	7-Mar-2023	TS_VI-VII_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-31G(D,P) SDD GEN	-1978.68194870; Eh
	7-Mar-2023	Int-VI_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-31G(D,P) SDD GEN	-1978.69220431; Eh
	7-Mar-2023	IntVIi_Ph	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-31G(D,P) SDD GEN	-2170.46003328; Eh
	7-Mar-2023	MeCOH	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-153.840849130; Eh
	26-Aug-2024	geom127_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8472939; Eh
	26-Aug-2024	geom72_nox_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-782.0804537; Eh
	26-Aug-2024	geom36_w3_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-3602.359459; Eh
	26-Aug-2024	geom1_w10_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-764.7307256; Eh

Results 48281-48290 of 104079 (Search time: 0.028 seconds).