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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S8F/S8F_opt f8_1int2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-819.789237694; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1ts3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.91596015; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1ts4s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.91066875; Eh
	17-Jul-2025	/Pt4-C3N4 Pt4-C3N4-C3H6	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-542.16785711; eV
	17-Jul-2025	/Pt4-C3N4 Pt4-C3N4-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-499.53353076; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-497.74273941; eV
	17-Jul-2025	/Pt4 Pt4-C3H6	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-64.02844406; eV
	17-Jul-2025	/Pt4 Pt4-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-21.71560256; eV
	29-Oct-2025	/S7F/S7F_sp ts_f7_1ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3309.2114165; Eh
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-C3H8-TS1-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-554.37900554; eV

Results 2141-2150 of 2835 (Search time: 0.001 seconds).