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

Search

previous
1
...
1112
1113
1114
1115
1116
1117
1118
...
1236
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-nh3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-535.3172073; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2181.3460604; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-807.0833016; Eh
	9-Nov-2018	/vacuum/complexes fenilno2alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-2059.54050515; Eh
	9-Nov-2018	/vacuum/complexes chch2feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-655.374032821; Eh
	9-Nov-2018	/vacuum/complexes fenilclmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1021.20679876; Eh
	9-Nov-2018	/vacuum/complexes cchfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-654.139638385; Eh
	9-Nov-2018	/vacuum/complexes fenilclznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-958.311322831; Eh
	9-Nov-2018	/vacuum/complexes cchticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1515.88294719; Eh
	9-Nov-2018	/vacuum/complexes fenilclircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1595.36401653; Eh

Results 11141-11150 of 12354 (Search time: 0.008 seconds).