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

Search

previous
1
2
3
4
5
6
7
...
10
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2021	/benchmarking/M06_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8024.5726442; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp PhCH2CH2Br	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-2884.1310384; Eh
	30-May-2021	/reaction_profiles/PC6H4CF33 NidppfPC6H4CF33BrR	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-9697.5981253; Eh
	30-May-2021	/reaction_profiles/FcPPh2 NidppfFcPPh2BrR	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-10104.8960823; Eh
	30-May-2021	/reaction_profiles/PPh3 NidppfPPh32	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-6838.2918755; Eh
	30-May-2021	/reaction_profiles/FcPPh2 FcPPh2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-2454.3240349; Eh
	30-May-2021	/reaction_profiles/PCy3 NiBrRdppfPCy3_sqbp	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8697.3530122; Eh
	30-May-2021	/reaction_profiles/FcPPh2 NidppfFcPPh22	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-9675.0990464; Eh
	30-May-2021	/reaction_profiles/FcPPh2 NidppfFcPPh2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7220.7515685; Eh
	30-May-2021	/reaction_profiles/PC6H4CF33 NidppfPC6H4CF332	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8860.5038503; Eh

Results 31-40 of 95 (Search time: 0.002 seconds).