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

Search

previous
1
...
1961
1962
1963
1964
1965
1966
1967
...
10451
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3f-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-600.161538760; Eh
	29-Feb-2016	TS3a-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.38163848; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/bp86 TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31+G(D,P)	-559.400741773; Eh
	27-Jun-2023	SP_tsBrotjp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-2675.1363746; Eh
	27-Jun-2023	SP_tsE-J2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1140.0774813; Eh
	29-Feb-2016	FCa-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2464.24747206; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/bp86 TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31+G(D,P)	-849.735937626; Eh
	29-Feb-2016	TS3b-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.37118164; Eh
	29-Feb-2016	FCb-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2464.24441663; Eh
	19-Mar-2026	/Nb Nb05O16-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-7.44426849; Eh

Results 19631-19640 of 104510 (Search time: 0.012 seconds).