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

Search

previous
1
...
786
787
788
789
790
791
792
...
1531
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/DCM/TS_DCM ch3ph2-f-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-482.436874842; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-cf3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-528.709804195; Eh
	15-Feb-2022	/model_system TS-HLoct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-3061.8661686; Eh
	15-Feb-2022	/model_system TS-GHoct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2638.4855018; Eh
	15-Feb-2022	/model_system Loct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-3061.8837491; Eh
	15-Feb-2022	/model_system Hoct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2325.0753811; Eh
	15-Feb-2022	/model_system Goct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2638.4951479; Eh
	15-Feb-2022	/model_system olefin_oct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GEN	-423.3615153; Eh
	2-Aug-2022	lactone6_I_toluene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-756.6860152; Eh
	15-Feb-2022	/model_system cyclooctene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GEN	-313.395191; Eh

Results 7881-7890 of 15306 (Search time: 0.039 seconds).