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

Search

previous
1
...
7479
7480
7481
7482
7483
7484
7485
...
10413
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Apr-2024	PIFA	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1581.7326284; Eh
	30-Apr-2024	Cplx2	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1127.4823263; Eh
	30-Apr-2024	TS12	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1127.4434353; Eh
	30-Apr-2024	2a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1455.4785947; Eh
	16-Jul-2024	/M_Fe_N_din6_s_c4_0124/Zn_Fe_N_din6_s_c4_0124 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-610.07209074; eV
	18-Jun-2024	/Transition_states/Rh/111 0021+0000-0011+0011	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/group3S/cd/0001 cd-4aS1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-113.94714223; eV
	16-Jan-2026	/FG_dataset/group3S/cd/0001 cd-4aS2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-114.01107275; eV
	16-Jan-2026	/FG_dataset/group3S/cd/0001 cd-48S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-106.17197898; eV
	16-Jan-2026	/FG_dataset/group3S/cd/0001 cd-38S3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-97.34528062; eV

Results 74811-74820 of 104126 (Search time: 0.043 seconds).