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

Search

previous
1
...
565
566
567
568
569
570
571
...
10413
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Sep-2016	/Silver IInt2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1804.29182918; Eh
	26-Sep-2016	/Copper ATS1_B	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1854.83099467; Eh
	26-Sep-2016	/Copper Adduct_B	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1854.82588879; Eh
	26-Sep-2016	/Copper Adduct_A	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1854.82593612; Eh
	26-Sep-2016	/Copper metallocarbene	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1622.71367593; Eh
	26-Sep-2016	/Copper ITS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); lanl2dz	-2007.63984854; Eh
	26-Sep-2016	/Silver IInt1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1804.26084176; Eh
	26-Sep-2016	/Silver ITS1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); lanl2dz	-1804.20957200; Eh
	26-Sep-2016	/Copper ATS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); lanl2dz	-1854.84661766; Eh
	16-Jul-2018	Styrene	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-309.621004797; Eh

Results 5671-5680 of 104124 (Search time: 0.006 seconds).