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

Search

previous
1
...
1855
1856
1857
1858
1859
1860
1861
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Aug-2019	TSLCuBpin	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-1265.45259538; Eh
	30-Aug-2019	CuLBpin	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-311G* GEN*	-911.434911245; Eh
	30-Aug-2019	TSiso-mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-962.117613816; Eh
	30-Aug-2019	CuLF	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-311G* GEN*	-757.281742080; Eh
	30-Aug-2019	TSdirectransCuFBP	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-1362.85085869; Eh
	30-Aug-2019	TSdirectransCuPCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-1262.80245091; Eh
	30-Aug-2019	TSLCuBpinCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-1285.28414845; Eh
	30-Aug-2019	LCuBpinCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-311G* GEN*	-931.255188751; Eh
	30-Aug-2019	TS-Cu-3-Bpin	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-1242.95140279; Eh
	30-Aug-2019	TS2-Cu-3-Bpin	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-1242.97006040; Eh

Results 18571-18580 of 103542 (Search time: 0.012 seconds).