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

Search

previous
1
2
3
4
5
...
7
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/IC IC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1490.41004360; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Reactants/Epoxyhexane Epoxyhexane	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-310.992191173; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RM062X	-	-11.5129824486; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Reactants/CO2 CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-188.565876230; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/CC/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-499.594888; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1501.84763915; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/Int1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311G**	-1501.9059335; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1690.43456982; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/Int2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311G**	-1690.4938476; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/IC/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311G**	-1490.3829328; Eh

Results 11-20 of 68 (Search time: 0.002 seconds).