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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Nov-2023	SP_N1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1061.4365374; Eh
	16-Feb-2023	/M_S_din6_s_c5/Ni_S_din6_s_c5 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-597.74181917; eV
	16-Feb-2023	/M_S_din6_s_c5/Zn_S_din6_s_c5 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-593.82794824; eV
	15-Feb-2023	C_c1	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-4361.23666769; Eh
	15-Feb-2023	Rh(oac)4C(COOMe)(IArPF6)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-3098.0920419; Eh
	15-Feb-2023	C₂	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4361.23169709; Eh
	15-Feb-2023	Rh(oac)4C(COOMe)(IAr+)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-2157.0115438; Eh
	15-Feb-2023	Rh(oac)4C(COOMe)(OCOMe)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-1630.2969485; Eh
	15-Feb-2023	2a_A_(SP)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1170.8205377; Eh
	15-Feb-2023	Rh(oac)4C(COOMe)(Ph)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-1633.481741; Eh

Results 37581-37590 of 104589 (Search time: 0.09 seconds).