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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Apr-2024	/Ag/cluster_calcs/Cs/7_H2O 7_4900	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-102.08456853; eV
	25-Apr-2024	/Ag/cluster_calcs/Cs/7_H2O 7_5700	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-102.32758982; eV
	16-Jul-2024	/M_Fe_N_din6_s_c3_012/Cd_Fe_N_din6_s_c3_012 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-
	19-Mar-2026	/V V01O05-6H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-2.32026343; Eh
	18-Jun-2024	/Transition_states/Ru/0001 1312-1201+0111	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-
	18-Jun-2024	/Transition_states/Ru/0001 1112-1001+0111	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	DFT	-	-
	16-Jan-2026	/FG_dataset/group3S/au/111 au-4aS2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-229.07634475; eV
	25-Apr-2024	/Ag/cluster_calcs/Cs/6_H2O 6_4600	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-87.87140822; eV
	23-Jul-2025	/TiO2(110)/Imines/Ethanimine/top_M5c config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1127.26070397; eV
	19-Mar-2026	/V V07O21-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.31090444; Eh

Results 75861-75870 of 104126 (Search time: 0.055 seconds).