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

Search

previous
1
...
2337
2338
2339
2340
2341
2342
2343
...
10393
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-ph3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-519.6064457; Eh
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-3801-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-308.36855826; eV
	9-Nov-2018	/noDisp/complexes sin-ofenofecl2sextup_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1274.1484016; Eh
	9-Nov-2018	/noDisp/complexes sin-saucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1914.678012; Eh
	9-Nov-2018	/noDisp/complexes sin-sih3-rhh2o5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-783.4533211; Eh
	9-Nov-2018	/noDisp/complexes sin-shhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-575.3758619; Eh
	9-Nov-2018	/noDisp/complexes sin-ohgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-251.6413132; Eh
	4-Jan-2026	pf3_NMR	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP; RPBE1PBE	6-31G(D) 6-31+G(D,P) GEN	-640.6061302; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinaaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1764.723597; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1742.6706967; Eh

Results 23391-23400 of 103928 (Search time: 0.015 seconds).