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

Search

previous
1
...
9791
9792
9793
9794
9795
9796
9797
...
10014
next

Collection hits:

Collection Name
NiFeOOH

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Feb-2026	/Cu/Theoretical Raman spectroscopy/CCH2/phonopy 023	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-148.42002834; eV
	5-Feb-2026	/Cu/Theoretical Raman spectroscopy/CCH2/phonopy 022	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-148.42057943; eV
	5-Feb-2026	/Cu/Theoretical Raman spectroscopy/CCH2/phonopy 024	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-148.42042973; eV
	5-Feb-2026	/Cu/Theoretical Raman spectroscopy/CCH2/phonopy 021	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-148.42006810; eV
	31-Jan-2026	/References FF	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-71.93497377; eV
	5-Feb-2026	/Cu/Adatom/OH_on_top OH_on_top_2	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-497.42142547; eV
	5-Feb-2026	/Cu/Adatom/OH_non_CO OH_3_non_CO	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-482.85360269; eV
	5-Feb-2026	/Cu/Adatom/top_vac rerun	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-473.15653587; eV
	5-Feb-2026	/Cu/Adatom/OH OH_3	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-498.41238131; eV

Results 97931-97940 of 100136 (Search time: 0.061 seconds).