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

Search

previous
1
...
2166
2167
2168
2169
2170
2171
2172
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes ph3gacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1725.97817553; Eh
	9-Nov-2018	/vacuum/complexes scnhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-667.633204957; Eh
	9-Nov-2018	/vacuum/complexes piridinaznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-531.425615770; Eh
	9-Nov-2018	/vacuum/complexes piridinaaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-476.974873256; Eh
	9-Nov-2018	/vacuum/complexes scnaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-719.829031114; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S13 S13_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-984.1509391; Eh
	9-Nov-2018	/vacuum/complexes scncrh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-960.061547515; Eh
	9-Nov-2018	/vacuum/complexes piridinacuch3_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-485.593110419; Eh
	9-Nov-2018	/vacuum/complexes piridinasnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-371.234070225; Eh
	9-Nov-2018	/vacuum/complexes h2sptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-861.968089686; Eh

Results 21681-21690 of 103542 (Search time: 0.013 seconds).