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

Search

previous
1
...
1597
1598
1599
1600
1601
1602
1603
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-cnfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-670.2539549; Eh
	9-Nov-2018	/noDisp/complexes sin-clircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1364.3456853; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1730.1550062; Eh
	9-Nov-2018	/noDisp/complexes sin-brnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-294.3601032; Eh
	9-Nov-2018	/vacuum/complexes sih3-snme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-414.427608353; Eh
	9-Nov-2018	/noDisp/complexes sin-closo3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-776.2186825; Eh
	9-Nov-2018	/vacuum/complexes sih3-ptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-753.931079828; Eh
	9-Nov-2018	/noDisp/complexes sin-cnalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1716.217615; Eh
	28-May-2022	/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Pd-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-319.12837341; eV
	9-Nov-2018	/noDisp/complexes sin-ch3-feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-617.2795724; Eh

Results 15991-16000 of 104515 (Search time: 0.011 seconds).