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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/reac_prod_actspec_cyc/opt S8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3185.7411691; Eh
	17-Jul-2025	/Pt4 Naked_Pt4_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-13.09856434; eV
	17-Jul-2025	/Pt5 Naked_Pt5_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-17.69112298; eV
	17-Jul-2025	/Pt5 Naked_Pt5_d	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-17.66035537; eV
	17-Jul-2025	/Pt4 Naked_Pt4_d	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-13.05635326; eV
	17-Jul-2025	/Pt4 Naked_Pt4_a	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-13.19038000; eV
	29-Oct-2025	/reac_prod_actspec_cyc/opt s9_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3583.82346797; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt 2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-421.584248850; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt sf2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-896.257808330; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt sf	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-498.063174213; Eh

Results 2311-2320 of 2835 (Search time: 0.001 seconds).