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

Search

previous
1
...
702
703
704
705
706
707
708
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiT1_CisDD_to_TransDU_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1059.70535466; Eh
	7-Apr-2019	/Catalytic_cycle_4 I3_Re_Up_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1282.12376233; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Anti_Re_Up_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.06666690; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Syn_Re_Up_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.07861110; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Syn_Re_Up_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.06585532; Eh
	3-Oct-2019	wat_dosmet240ph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+G(D,P) SDD GEN	-3425.5670597; Eh
	30-Apr-2019	Br_TSOxAdd_c1_c2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-25424.0276829; Eh
	30-Apr-2019	Br_c2p	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-25424.079236; Eh
	30-Apr-2019	Br_c3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-25424.0976435; Eh
	30-Apr-2019	Br_c4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-25424.1080282; Eh

Results 7041-7050 of 12842 (Search time: 0.006 seconds).