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

Search

previous
1
...
654
655
656
657
658
659
660
...
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 T3_Et3NHBF4_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2190.34714402; Eh
	7-Apr-2019	/Catalytic_cycle_2 T4Syn_Re_Down_Cis_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1818.81027401; Eh
	7-Apr-2019	/Common_species NHC_carbene	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1051.13539512; Eh
	7-Apr-2019	/Catalytic_cycle_2 Tropone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-345.134509920; Eh
	7-Apr-2019	/Common_species Et3N	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-292.038515828; Eh
	2-May-2019	INT10	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	-	-3177.67635251; Eh
	2-May-2019	TS2noa	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	-	-2756.80206454; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Syn_Re_Down_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.26226208; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Anti_Re_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.25959811; Eh
	7-Apr-2019	/Catalytic_cycle_1 I3_Re_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1473.66516306; Eh

Results 6561-6570 of 12842 (Search time: 0.006 seconds).