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

Search

previous
1
...
351
352
353
354
355
356
357
...
10195
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/M06L/Nb Nb09O27-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/Nb Nb06O19-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/Nb Nb10O28-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/Nb Nb09O27-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_141 disp_141	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60700812; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_203 disp_203	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60542437; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_096 disp_096	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.59407653; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_171 disp_171	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61116765; eV
	20-Feb-2024	/FASnX3/FASnI3/Orthorhombic_Imm2 PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-543.08007108; eV
	20-Feb-2024	/CsSnX3/CsSnCl3/Monoclinic PBEsol-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-74.16028610; eV

Results 3531-3540 of 101944 (Search time: 0.006 seconds).