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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Oct-2023	/Opt I_c9	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.43365933; Eh
	30-Oct-2023	/Opt I_c10	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.43239075; Eh
	22-Aug-2018	/ads_Co_OH2 bh3nh3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-887.54403886; eV
	22-Aug-2018	/xps/Co_Cu3 139	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.49160607; eV
	1-Jul-2023	Pd-4xN6-Ni-4xN6-5.64_09	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1962.76955914; eV
	1-Jul-2023	pristine-3xN6-Ni-4xN6-3.55_01	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1965.97140318; eV
	1-Jul-2023	pristine-3xN6-Ni-4xN6-3.95_02	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1966.60950333; eV
	28-Oct-2022	/N_din6_as_c2_36 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-617.15391010; eV
	31-Jul-2023	/M_S_SACs/M_sq_C5S2_s2/Ni_sq_C5S2_s2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-637.02290767; eV
	30-Oct-2023	/Opt I_c12	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.43000239; Eh

Results 30601-30610 of 103542 (Search time: 0.02 seconds).