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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Feb-2021	hrol_frq_nco	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-643.37385421; eV
	19-Mar-2026	/AsMo As01Mo06O22-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.84908828; Eh
	31-Jan-2022	/MECP_Cluster_(O)/MECP_Co-OOH LS_Co-OOH_MECP_Cluster_(O)_	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3727.56568917; Eh
	31-Jan-2022	/MECP_Cluster_(O)/MECP_Co-OOH IS_Co-OOH_MECP_Cluster_(O)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3727.56573622; Eh
	1-Oct-2021	TS1_am_tfmvs	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-4054.03807474; Eh
	1-Oct-2021	TS1_atfms	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-4093.36190813; Eh
	1-Oct-2021	TS1_Cy	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-3474.74424220; Eh
	1-Jun-2022	PtCl2_3xN5	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1310.06417462; eV
	22-Feb-2021	hdin_ncooh	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-655.66190628; eV
	22-Feb-2021	hdin_frq_ncooh	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-655.66190161; eV

Results 57751-57760 of 104126 (Search time: 0.035 seconds).