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

Search

previous
1
...
4217
4218
4219
4220
4221
4222
4223
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jun-2023	Pt-3xN6-pristine-3xN6-3.75_02	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1972.87607769; eV
	30-Jun-2023	Ru-3xN6-Ru-3xN6-7.51_13	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1983.93203410; eV
	30-Jun-2023	Ru-3xN6-Ru-3xN6-4.26_04	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1983.84069330; eV
	3-Feb-2023	/OD-Cu_sites s12	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1826.26587867; eV
	3-Feb-2023	/OD-Cu_sites s10	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1826.14686386; eV
	3-Feb-2023	/OD-Cu_sites s12_CO3	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1856.65969110; eV
	3-Feb-2023	/Cu-Pb_surfaces Pb111_CO3	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-314.68139019; eV
	30-Jun-2023	Ni-3xN6-pristine-4xN6-8.18_19	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1963.61483423; eV
	30-Jun-2023	Ru-3xN6-Ru-4xN6-3.95_02	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1975.60076379; eV
	30-Jun-2023	Ni-4xN6-Ni-4xN6-8.61_30	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1964.85890032; eV

Results 42191-42200 of 103542 (Search time: 0.026 seconds).