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

Search

previous
1
...
5558
5559
5560
5561
5562
5563
5564
...
10413
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/VMo V01Mo11O39-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.31291674; Eh
	26-Aug-2024	geom33_partial_diimine_w4_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-2646.1724434; Eh
	26-Aug-2024	geom198_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0134965; Eh
	26-Aug-2024	geom11_nox_w10_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-1087.87262170; Eh
	26-Aug-2024	geom69_nox3_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1429.0755025; Eh
	26-Aug-2024	geom197_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9645672; Eh
	26-Aug-2024	geom69_nox2_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1258.4584058; Eh
	26-Aug-2024	geom11_nox_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1164.2876546; Eh
	26-Aug-2024	geom33_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-764.3500812; Eh
	18-Jun-2024	/Transition_states/Cu/111 1101-1001	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	DFT	-	-

Results 55601-55610 of 104126 (Search time: 0.036 seconds).