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

Search

previous
1
...
7829
7830
7831
7832
7833
7834
7835
...
10413
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	SP_c60cn_freeanion_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-2378.875502; Eh
	28-Aug-2024	SP_c120cn_2_kcn2_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311+G(D,P)	-
	28-Aug-2024	SP_c120cn_2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311+G(D,P)	-
	16-Jan-2026	/FG_dataset/group3N/ag/111 ag-4bN5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-211.29535361; eV
	28-Aug-2024	nacn_2cat_dmf2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-914.551990814; Eh
	28-Aug-2024	nacn_2cat_dmf	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-666.008718532; Eh
	28-Aug-2024	nacndmf5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1497.93278674; Eh
	28-Aug-2024	nacn_13an	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-3411.06582493; Eh
	28-Aug-2024	nacndmf	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-503.750005845; Eh
	28-Aug-2024	nacn_13	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-3318.08298490; Eh

Results 78311-78320 of 104126 (Search time: 0.054 seconds).