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

Search

previous
1
...
369
370
371
372
373
374
375
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3sch3-sch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-916.281658649; Eh
	30-Sep-2021	/Water/TS_water ch3oh-f-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-215.736416519; Eh
	1-Sep-2023	A-1j	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1341.9489764; Eh
	11-May-2021	MECP-3C-osC-triplet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-31+G(D) GENECP	-1275.55946826; Eh
	11-May-2021	MECP-B-3B-triplet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-31+G(D) GENECP	-1275.55702336; Eh
	11-May-2021	os-C	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31+G(D) GENECP	-1275.55942465; Eh
	11-May-2021	MECP-3C_-osC_-triplet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-31+G(D) GENECP	-1283.15632723; Eh
	11-May-2021	TS-B_-E_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G(D) GENECP	-1283.11762520; Eh
	11-May-2021	TD_A	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06; TD-FC	6-31+G(D) GENECP	-1125.3428295; Eh
	11-May-2021	3A_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31+G(D) GENECP	-1132.85998450; Eh

Results 3711-3720 of 12842 (Search time: 0.005 seconds).