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

Search

previous
1
...
1732
1733
1734
1735
1736
1737
1738
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-May-2017	Ru-CS-H3CO-tric_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-450.48520914; eV
	10-May-2017	Pd-CS-H3CO-tric_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex	Geometry optimization	-	-	-267.86310970; eV
	25-Jun-2024	/Intermediates/Au/100 C4H4S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-201.87296508; eV
	25-Jun-2024	/Intermediates/Ir/100 C4H10N2_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-487.21480686; eV
	25-Jun-2024	/Intermediates/Pd/100 C8H10_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-348.80543002; eV
	25-Jun-2024	/Intermediates/Cu/110 N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Pt/100 C3H8	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-333.78516650; eV
	25-Jun-2024	/Intermediates/Rh/100 C3H6O_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-382.78350903; eV
	18-Jun-2024	/Transition_states/Pt/111 2113-1112+1001	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ir/100 C4H10N2_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-487.34945061; eV

Results 17341-17350 of 104512 (Search time: 0.01 seconds).