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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jan-2022	/Cluster_(O) IS_Co-O_Cluster_(O)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3651.81877800; Eh
	2-Oct-2023	/CWO_del_config CWO_H2O-OH2	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-745.38989642; eV
	2-Oct-2023	/CoSbO4 CoSbO4_surf2	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Geometry optimization	DFT	-	-110.00161348; eV
	2-Oct-2023	/CWO_delamination CWO_del2	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-756.13831628; eV
	2-Oct-2023	/CWO_delamination CWO_del4	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-758.45683410; eV
	2-Oct-2023	/CWO_delamination CWO_del3	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-760.11293880; eV
	2-Oct-2023	/CWO_delamination CWO_del1	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-752.03853905; eV
	2-Oct-2023	/NiWO NiWO_del-pbe	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-741.66769394; eV
	31-Jan-2022	/MECP_Cluster_(R)/MECP_Co-O LS_Co-O_MECP_Cluster_(R)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.02512108; Eh
	25-Jun-2024	/Intermediates/Ag/110 C3H8O_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-247.70510019; eV

Results 28311-28320 of 103542 (Search time: 0.018 seconds).