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

Search

previous
1
...
1419
1420
1421
1422
1423
1424
1425
...
10459
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-clmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1724.9218113; Eh
	9-Nov-2018	/water//water complexes aq-clrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2150.5949424; Eh
	9-Nov-2018	/water//water complexes aq-cnznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-359.9497881; Eh
	23-Aug-2018	/ni3p2_ni2p/c2h2 3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-657.17643842; eV
	23-Aug-2018	/ni3p2_ni2p/ch3 2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-653.22419440; eV
	9-Nov-2018	/vacuum/complexes imidazolrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-717.927640603; Eh
	9-Nov-2018	/water//water complexes aq-cnptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-711.8629881; Eh
	9-Nov-2018	/vacuum/complexes imidazolrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1916.44412769; Eh
	9-Nov-2018	/water//water complexes aq-cnauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-571.8411424; Eh
	9-Nov-2018	/water//water complexes aq-cnnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-373.8065477; Eh

Results 14211-14220 of 104583 (Search time: 0.01 seconds).