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

Search

previous
1
...
1511
1512
1513
1514
1515
1516
1517
...
10459
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Nov-2018	_CN-static_b_6	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.67262136; eV
	5-Nov-2018	_CN-static_b_4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.60557460; eV
	5-Nov-2018	_F_bridge	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-170.46053508; eV
	5-Nov-2018	_Pt_top	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-170.29580797; eV
	12-Feb-2019	sa-NiZn-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-254.45898025; eV
	3-Oct-2019	water_sp2_ts_pdpme32_c_transnoulliu_fromDMF	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28384252; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1390.5701965; Eh
	9-Nov-2018	/noDisp/complexes sin-shznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-665.8830361; Eh
	9-Nov-2018	/noDisp/complexes sin-faucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1616.3769399; Eh
	5-Nov-2018	_CN-static_b_3	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.65926326; eV

Results 15131-15140 of 104583 (Search time: 0.014 seconds).