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

Search

previous
1
2
3
4
5
...
33
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Aug-2020	/Ni_dppf_alkyl_solv_opt/PhCH2CH2Br G16_SP_BB_Benzene_as_radical_anion	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-2884.5514898; Eh
	25-Aug-2020	/Ni_dppf_alkyl/TS_HA_Nidppf_PhCH2CH2Cl G16_SP_BB_Benzene_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5538.3661768; Eh
	25-Aug-2020	/Ni_dppf_alkyl_solv_opt/Ni_dppf_BrCH2CH2Ph G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-7652.3034935; Eh
	25-Aug-2020	/Ni_dppf_alkyl/TS_HA_Nidppf2_PhCH2CH2Cl G16_SP_BB_Benzene_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-8797.7867187; Eh
	25-Aug-2020	/Ni_dppf_alkyl/TS_HA_Nidppf_PhCH2CH2I G16_SP_BB_Benzene_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5089.5227613; Eh
	25-Aug-2020	/Ni_dppf_alkyl/TS_HA_Nidppf_PhCH2CH2I G16_SP_BB_Benzene_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5089.5370489; Eh
	25-Aug-2020	/Ni_dppf_alkyl/PhCH2CH2Cl_radanion G16_SP_BB_Benzene_as_neutral	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-770.5057707; Eh
	25-Aug-2020	/Ni_dppf_alkyl/PhCH2CH2Br_radanion G16_SP_BB_Benzene_as_neutral	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-2884.42999; Eh
	25-Aug-2020	/Ni_dppf_alkyl/TS_NiBrHdppf_styrene_MI G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-7652.3127462; Eh
	25-Aug-2020	/Ni_dppf_alkyl/PhCH2CH2Br_radanion G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-2884.6050427; Eh

Results 11-20 of 322 (Search time: 0.001 seconds).