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

Search

previous
1
...
3504
3505
3506
3507
3508
3509
3510
...
10459
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Sep-2023	PIFA	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1581.7326284; Eh
	30-May-2021	/reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_sqbp_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8111.5767434; Eh
	30-May-2021	/reaction_profiles/PMe3 NiBrdppfPMe3+rad_recomb_sqbp_t	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8111.5537153; Eh
	30-May-2021	/reaction_profiles/PMe3 NiBrRdppfPMe3_sqbp	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8111.5940213; Eh
	30-May-2021	/reaction_profiles/PC6H4F3 NidppfPC6H4F3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-6100.0670723; Eh
	30-May-2021	/reaction_profiles/PC6H4F3 PC6H4F3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-1333.642568; Eh
	9-Aug-2020	Full_system	Fondevila, Adiran J. De Aguirre	Gaussian; 16; AM64L-G16RevA.03	Single point Minimum	ONIOM; B97D; --mm	6-31+G DUMMY MIXED*	-1363.40420283; Eh
	7-Mar-2024	TSC2b-8	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1560.14674102; Eh
	5-May-2020	XPS-SY-red-Cu-2p-231	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1723.84050910; eV
	5-May-2020	XPS-SY-red-Cu-2p-292	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1723.79129643; eV

Results 35061-35070 of 104583 (Search time: 0.022 seconds).