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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_sp f8_1int3s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4702305; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1int4s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4834461; Eh
	17-Jul-2025	/Pt3-C3N4 Pt3-C3N4-CH2CH2CH3-TS2-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-544.96430708; eV
	17-Jul-2025	/Pt3-C3N4 Pt3-C3N4-CH2CHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-545.35746802; eV
	17-Jul-2025	/Pt2 Pt2-CH2CH2CH3-TS2-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-63.83368446; eV
	17-Jul-2025	/Pt2 Pt2-CH2CHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-63.99303929; eV
	17-Jul-2025	/Pt3-C3N4 Pt3-C3N4-CH2CHCH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-545.86527603; eV
	13-May-2025	N3Troc	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D) GENECP	-475.037954112; Eh
	17-Jul-2025	/Pt2 Pt2-CH2CHCH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-64.29416352; eV
	17-Jul-2025	/Pt2 Pt2-CH2CHCH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-64.29557641; eV

Results 2071-2080 of 2835 (Search time: 0.001 seconds).