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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Feb-2023	/M_S_din6_as_c2_15/Au_S_din6_as_c2_15 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-602.24891014; eV
	16-Feb-2023	/M_S_din6_as_c2_15/Ag_S_din6_as_c2_15 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-601.77162742; 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	2a_(SP)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2111.8991233; 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
	15-Feb-2023	E_(SP)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2949.4770122; Eh

Results 42011-42020 of 103529 (Search time: 0.024 seconds).