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

Search

previous
1
...
277
278
279
280
281
282
283
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2018	L5b_S2_NH3_TS_exo_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-2974.37229749; Eh
	23-Mar-2018	L5b_S1_allyl_exo_S	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G; lanl2dz*	-3263.20573294; Eh
	23-Mar-2018	L5b_S1_allyl_endo_S	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G; lanl2dz*	-3263.20650181; Eh
	23-Mar-2018	L5b_S2_NH3_TS_exo_S	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-2974.37890471; Eh
	23-Mar-2018	L5b_S2_NH3_TS_endo	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-2974.37093754; Eh
	23-Mar-2018	L5b_S1_allyl_endo	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G; lanl2dz*	-3263.40601080; Eh
	23-Mar-2018	L5b_S1_allyl_exo	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G; lanl2dz*	-3263.19797366; Eh
	23-Mar-2018	L5b_S1_DMM_olefin_exo_S_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-
	23-Mar-2018	L5b_S2_NH3_TS_endo_S_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-2974.37653251; Eh
	23-Mar-2018	L5b_S2_NH3_TS_endo_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-2974.36953143; Eh

Results 2791-2800 of 12842 (Search time: 0.005 seconds).