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

Search

previous
1
...
118
119
120
121
122
123
124
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2019	/Solv_Opt/M06_2x/Reactants/Cat Cat	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1179.36751585; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/TS_isom TS_isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1690.50463167; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Int_1 Int_1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1501.93141917; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/FC FC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1679.01434884; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/IC IC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1490.41004360; Eh
	22-Feb-2020	TSVIII_X	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3060.29164633; Eh
	29-Jan-2016	b-B-4+_Optimisation_and_Frequency_Calculation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-311G(d,p); LANL2DZ	-880.734016176; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/CC CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-499.599892121; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/TS1 TS1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1501.90504820; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/TS3 TS3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1690.49440606; Eh

Results 1201-1210 of 104079 (Search time: 0.004 seconds).