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

Search

previous
1
...
7253
7254
7255
7256
7257
7258
7259
...
10416
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/amidines/ir/111 ir-4aZm-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-498.64241195; eV
	16-Jan-2026	/FG_dataset/group3S/ru/0001 ru-14S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-451.90561262; eV
	16-Jul-2024	/M_Fe_N_din6_s_c4_0124/Au_Fe_N_din6_s_c4_0124 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-610.39497947; eV
	5-Nov-2025	substrate-1f	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-714.2152464; Eh
	5-Nov-2025	III-1f	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-914.2763047; Eh
	26-Aug-2024	geom57_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5334738; Eh
	16-Jan-2026	/FG_dataset/group3S/ru/0001 ru-36S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-478.82010219; eV
	16-Jan-2026	/FG_dataset/group3S/ru/0001 ru-26S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-468.67743378; eV
	16-Jan-2026	/FG_dataset/group3S/ru/0001 ru-36S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-478.73390498; eV
	16-Jan-2026	/FG_dataset/amidines/pt/111 pt-26Z2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-341.35862902; eV

Results 72551-72560 of 104157 (Search time: 0.043 seconds).