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

Search

previous
1
...
2815
2816
2817
2818
2819
2820
2821
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/M_S_SACs/M_sq_C5S2_d2/Ru_sq_C5S2_d2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-638.26819191; eV
	31-Jul-2023	/M_S_SACs/M_sq_C5S2_d2/Rh_sq_C5S2_d2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-637.58523426; eV
	24-Apr-2020	Pd111-Bsub-01	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-218.48202091; eV
	24-Apr-2020	Pd111-Bsub-02	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-218.23710224; eV
	25-Jun-2024	/Intermediates/Ir/110 C4H10	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-672.07801718; eV
	25-Jun-2024	/Intermediates/Au/110 C4H9N_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ru/10m11 HS_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	30-Jun-2023	/Li2O/211/peroxide/add_N2 add_N2	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-601.61210384; eV
	1-Jul-2023	Ru-4xN6-Ru-4xN6-8.06_25	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1967.52225764; eV
	19-Mar-2026	/PTaW P00Ta02W01O11-2H-iso-2	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.15390547; Eh

Results 28171-28180 of 103542 (Search time: 0.016 seconds).