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

Search

previous
1
...
1526
1527
1528
1529
1530
1531
1532
...
10459
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-ph3mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1607.5488391; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-655.8534157; Eh
	9-Nov-2018	/vacuum/complexes scncunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-857.937414972; Eh
	9-Nov-2018	/vacuum/complexes fenilomemno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-676.145270386; Eh
	9-Nov-2018	/noDisp/complexes sin-oznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-342.291597; Eh
	9-Nov-2018	/vacuum/complexes scnpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1305.92430405; Eh
	30-Sep-2021	/Water/TS_water ch3seh-och2ch3-ts_6311+Gd_ch2cl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2596.64341874; Eh
	9-Nov-2018	/vacuum/complexes fenilomefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1390.58707944; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-770.8245296; Eh
	9-Nov-2018	/vacuum/complexes fenilomerhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-838.375749394; Eh

Results 15281-15290 of 104583 (Search time: 0.063 seconds).