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

Search

previous
1
...
3008
3009
3010
3011
3012
3013
3014
...
10196
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Jun-2024	/Au25_clusters/Au25_react Au24Cuk_SH-SH_CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-501.86133933; eV
	13-Apr-2023	/hydride-formation PdMLPt(111)-(3x3)-K-OH-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-332.22277490; eV
	29-Jan-2024	V_Int1_LB_N	Garay Ruiz, Diego	ADF; 2016	Geometry optimization	PBE	TZ2P	-
	29-Jan-2024	V_Int0_Displ	Garay Ruiz, Diego	ADF; 2016	Geometry optimization	PBE	TZ2P	-
	29-Jan-2024	Nb_Int4	Garay Ruiz, Diego	ADF; 2016	Single point	PBE	TZ2P	-
	29-Jan-2024	Nb_Int3	Garay Ruiz, Diego	ADF; 2016	Single point	PBE	TZ2P	-
	31-Jul-2023	/M_P_SACs/M_tr_C4P1_C5P1/Ni_tr_C4P1_C5P1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-647.88740954; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P0_C5P2/Ir_tr_C4P0_C5P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-648.58384450; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P1_C5P1/Zn_tr_C4P1_C5P1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-645.14038775; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P1_C5P1/Ru_tr_C4P1_C5P1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-650.52639833; eV

Results 30101-30110 of 101953 (Search time: 0.02 seconds).