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

Search

previous
1
...
2316
2317
2318
2319
2320
2321
2322
...
10353
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-bpinrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-746.1991929; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-725.1334711; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-768.1073596; Eh
	9-Nov-2018	/noDisp/metal_frag sin-hgi2b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-176.4627777; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-534.9107042; Eh
	9-Nov-2018	/vacuum/complexes hemosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1267.24930224; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1518.6481433; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1068.8454442; Eh
	9-Nov-2018	/noDisp/complexes sin-xezncl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1623.533918; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-570.0642331; Eh

Results 23181-23190 of 103529 (Search time: 0.015 seconds).