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

Search

previous
1
...
295
296
297
298
299
300
301
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-nh3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-871.3069314; Eh
	8-Nov-2018	/water/complexes aq-nh3rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1746.7898956; Eh
	8-Nov-2018	/water/complexes aq-nh3pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-527.6917522; Eh
	11-Apr-2021	/Diels_Alder add-ma9-bq-mixb	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-960.599351905; Eh
	30-Aug-2018	large_basis_TS-C-5-6-Cl_NiIXy2_ClPh_spt_sps	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2553.00094615; Eh
	30-Aug-2018	large_basis_B-2-I_NiIMes2_eta2_PhI_fixCI_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2261.48146788; Eh
	30-Aug-2018	small_basis_A-3-Cl_cis-NiClPhITMe2_sqp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1628.28145589; Eh
	30-Aug-2018	large_basis_A-5-Cl_NiITMe2_ClPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1628.49916775; Eh
	30-Aug-2018	small_basis_NiCODITMe_NiITMeCOD	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-864.894348417; Eh
	30-Aug-2018	small_basis_A-6-I_NiIITMe2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G*	-947.830284938; Eh

Results 2971-2980 of 12842 (Search time: 0.005 seconds).