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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	/Pt2-C3N4 Pt2-C3N4_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-481.37484123; eV
	17-Jul-2025	/Pt6 Naked_Pt6_c	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-21.92273832; eV
	17-Jul-2025	/Pt6 Naked_Pt6_a	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-22.95764273; eV
	17-Jul-2025	/Pt5 Naked_Pt5_a	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-17.85625811; eV
	17-Jul-2025	/Pt5 Naked_Pt5_e	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-17.51239805; eV
	29-Oct-2025	/reac_prod_actspec_cyc/opt f_anion	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-99.8797140747; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt 4_n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1218.00227936; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt 4	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1218.00018452; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s7	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-2787.19056119; Eh
	17-Jul-2025	/Pt4-C3N4 Pt4-C3N4_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-492.05899382; eV

Results 2321-2330 of 2835 (Search time: 0.001 seconds).