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

Search

previous
1
...
1178
1179
1180
1181
1182
1183
1184
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Nov-2017	Pd-ECN_SAHC	Fako, Edvin	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-1906.41374070; eV
	3-Nov-2017	Pd_atom	Fako, Edvin	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-1.50156387; eV
	8-May-2017	Pd-4-29	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-282.23866835; eV
	8-May-2017	Pd-4-08	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-283.51264956; eV
	8-May-2017	Pt-9-09	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-305.62511878; eV
	8-May-2017	Pt-3-35	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-326.29861155; eV
	8-Nov-2018	/water/complexes aq-fenilomeircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1250.3076848; Eh
	23-Aug-2018	/ni3p2_ni2p/ts_c2h2 c2h6	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-673.66148455; eV
	23-Aug-2018	/ni3p2_ni2p/c2h4 2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-666.08792684; eV
	3-Nov-2017	TPP	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-222.31590790; eV

Results 11801-11810 of 104079 (Search time: 0.009 seconds).