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

Search

previous
1
...
3110
3111
3112
3113
3114
3115
3116
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Feb-2025	/Ru(tda)_py2/anchoring/2H_O_Ru O-Ru_2H	Nicaso, Marco	AMS; 2021.101; r94406	Geometry optimization	BP86	DZP; TZP	-823.899298; eV
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-3-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1919.21681119; Eh
	26-Dec-2022	/Nu_attack_scans I11r-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-2511.00288693; Eh
	26-Dec-2022	/Nu_attack_scans I11s-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-2510.99833683; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1919.20906960; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1919.21271625; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-1_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.8704643; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-2_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.8726177; Eh
	26-Dec-2022	/Nu_attack_scans I11s-lowest-2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	6-31G(D) LANL2DZ	-2510.99386198; Eh
	26-Dec-2022	/Nu_attack_scans I11r-lowest-2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	6-31G(D) LANL2DZ	-2510.99315310; Eh

Results 31121-31130 of 103542 (Search time: 0.022 seconds).