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

Search

previous
1
2
3
4
5
...
20
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_3 (3R,3aS)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-3571.77240700; Eh
	7-Apr-2019	/Catalytic_cycle_3 (3S,3aR)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-3571.77240703; Eh
	7-Apr-2019	/Catalytic_cycle_3 (3R,3aR)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-3571.77938924; Eh
	7-Apr-2019	/Catalytic_cycle_3 (3S,3aS)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-3571.77937200; Eh
	7-Apr-2019	/Catalytic_cycle_4 stransECrotonaldehyde	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-230.951968621; Eh
	7-Apr-2019	/Catalytic_cycle_4 I3_Si_Up_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1282.12183137; Eh
	7-Apr-2019	/Catalytic_cycle_4 I3_Si_Up_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1282.12744898; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Anti_Si_Up_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.05564517; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Syn_Si_Up_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	-	-1858.07168128; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Anti_Si_Up_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point TS	RM062X	-	-1858.06339271; Eh

Results 11-20 of 194 (Search time: 0.001 seconds).