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

Search

previous
1
...
4017
4018
4019
4020
4021
4022
4023
...
10309
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Oct-2022	/N_din4_x2_c2_f sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-613.37483351; eV
	28-Oct-2022	/N_din4_x2_c2_d sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.76930884; eV
	28-Oct-2022	/N_din4_x2_c4_a sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.11365438; eV
	20-Jan-2023	/Geometries_and_energies/Co/0001 H2	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-247.12709311; eV
	30-Jun-2023	Ni-3xN6-pristine-4xN6-7.41_15	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1963.62972235; eV
	28-Oct-2022	/N_din4_x2_c1_a rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.79653486; eV
	28-Oct-2022	/N_din4_x2_c2_a rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-617.73292583; eV
	28-Oct-2022	/N_din4_x2_c2_g rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-616.11627741; eV
	28-Oct-2022	/N_din4_x2_c3_b sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.59459798; eV
	28-Oct-2022	/N_din4_x2_c3_c dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.87475776; eV

Results 40191-40200 of 103083 (Search time: 0.024 seconds).