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

Search

previous
1
...
5186
5187
5188
5189
5190
5191
5192
...
10413
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/N_carbons/sq_C4N1_C5N0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-614.82139852; eV
	31-Jul-2023	/P_carbons/sq_C5P4 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-623.46925773; eV
	31-Jul-2023	/P_carbons/sq_C5P3 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-630.12616121; eV
	31-Jul-2023	/P_carbons/sq_C5P4 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.03045526; eV
	31-Jul-2023	/P_carbons/tr_C5P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-643.55730718; eV
	31-Jul-2023	/N_carbons/tr_C4N3 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-626.79272682; eV
	31-Jul-2023	/N_carbons/tr_C4N2 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-626.14961303; eV
	31-Jul-2023	/N_carbons/tr_C4X0 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-623.66089821; eV
	31-Jul-2023	/S_carbons/tr_C4S1_C5S1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-641.09808855; eV
	31-Jul-2023	/P_carbons/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	-	-644.53362542; eV

Results 51881-51890 of 104124 (Search time: 0.031 seconds).