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

Search

previous
1
...
3351
3352
3353
3354
3355
3356
3357
...
10459
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Apr-2020	/Ni-nanoparticle/Ni(100) Ni(100)-cooh	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-283.07303227; eV
	27-Apr-2020	/Ni-nanoparticle/Ni(100) Ni(100)-co2	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-279.50635354; eV
	27-Apr-2020	/Ni-nanoparticle/Ni(100) Ni(100)-clean	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-256.60787819; eV
	27-Apr-2020	/Ni-nanoparticle/Ni(211) Ni(211)-clean	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-390.33449923; eV
	27-Apr-2020	/Ni-nanoparticle/Ni(100) NI(100)-co	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-273.05911660; eV
	27-Apr-2020	/Ni-nanoparticle/Ni(111) Ni(111)-co	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-365.34825819; eV
	27-Apr-2020	/Ni-nanoparticle/Ni(100) Ni(100)-h	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-388.31473779; eV
	6-Aug-2020	/freq/intermediates/Ru/CCl fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-305.96419068; eV
	23-Feb-2021	naked_trimer_H2-hydride	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1929.33566998; eV
	19-Jan-2022	/benchmark-Hubbard NiO(100)-3x3-CH2-U-6_3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-749.77165169; eV

Results 33531-33540 of 104583 (Search time: 0.021 seconds).