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

Search

previous
1
...
709
710
711
712
713
714
715
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Apr-2019	/Catalytic_cycle_1 I3_Si_Down_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1473.65927505; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Syn_Re_Down_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	-	-2278.23161868; Eh
	7-Apr-2019	/Catalytic_cycle_1 I3_Re_Down_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1473.66018515; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Anti_Re_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.24764696; Eh
	7-Apr-2019	/Catalytic_cycle_1 I3_Re_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1473.66026869; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Syn_Re_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.24935864; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Anti_Si_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.23981902; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Syn_Si_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.25584049; Eh
	9-Nov-2018	/vacuum/complexes h2scrh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-868.048854350; Eh
	3-Oct-2019	water_sp2_ts_pdph3_c_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3274.18521362; Eh

Results 7111-7120 of 12842 (Search time: 0.007 seconds).