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

Search

previous
1
...
2702
2703
2704
2705
2706
2707
2708
...
10451
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-nchptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-712.2647129; Eh
	8-Nov-2018	/water/complexes aq-nchpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-564.5553187; Eh
	8-Nov-2018	/water/complexes aq-nchniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-607.5469041; Eh
	8-Nov-2018	/water/complexes aq-nchoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-409.2849653; Eh
	8-Nov-2018	/water/complexes aq-nchrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-585.6716199; Eh
	8-Nov-2018	/water/complexes aq-nchpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-908.1621387; Eh
	13-Apr-2023	/hydride-formation-HC PdMLPt(111)-(3x3)-H-100-ML-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-130.52757027; eV
	8-Nov-2018	/water/complexes aq-nchrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1783.6445378; Eh
	8-Nov-2018	/water/complexes aq-nchtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-309.9598379; Eh
	8-Nov-2018	/water/complexes aq-nchmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1357.9407065; Eh

Results 27041-27050 of 104508 (Search time: 0.016 seconds).