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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jan-2023	/Vibrational_frequencies/HAP H2O	Nikačević, Pavle	vasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complex	Frequencies	DFT	-	-675.80880617; eV
	16-Jul-2024	/M_Fe_N_din6_s_c2_12/Rh_Fe_N_din6_s_c2_12 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.04348804; eV
	24-Jan-2023	Mo2O2S2-L1_trans_complex	Buils, Jordi	AMS; 2021.101; r94406	Geometry optimization	BP86	-	-402.545070; eV
	30-Oct-2023	/Opt II_c12	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41966827; Eh
	30-Oct-2023	/Opt II_c14	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41934360; Eh
	30-Oct-2023	/Opt II_c16	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41903115; Eh
	30-Oct-2023	/Opt II_c17	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.42008758; Eh
	30-Oct-2023	/Opt II_c13	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41947711; Eh
	30-Oct-2023	/Opt II_c15	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41982184; Eh
	16-Jul-2024	/M_Fe_N_din6_s_c3_013/Cd_Fe_N_din6_s_c3_013 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-608.81119341; eV

Results 39551-39560 of 103928 (Search time: 0.031 seconds).