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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Minima Water_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-76.3797445488; Eh
	31-Jul-2023	/M_P_SACs/M_sq_C4P2_C5P2/Ir_sq_C4P2_C5P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-616.74259053; eV
	11-Feb-2019	hyd_dimer_ts4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2000.01868617; eV
	11-Feb-2019	hyd_dimer_ts5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2000.56872960; eV
	11-Feb-2019	hyd_mono_5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1995.36434339; eV
	11-Feb-2019	hyd_mono_3	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1913.88865492; eV
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Minima Hemiaminal_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-558.878567773; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Minima Imine_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-482.491386152; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts A_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-421.669540220; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts W_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-152.769777769; Eh

Results 1581-1590 of 104079 (Search time: 0.004 seconds).