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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	/Pt3-C3N4 Pt3-C3N4-CH2CHCH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-545.41959417; eV
	13-May-2025	N2	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-109.515658220; Eh
	17-Jul-2025	/Pt3-C3N4 Pt3-C3N4-C3H6	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-537.75747436; eV
	17-Jul-2025	/Pt2 Pt2-CH2CHCH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-64.01612677; eV
	17-Jul-2025	/Pt2 Pt2-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-12.71533722; eV
	29-Oct-2025	/S8F/S8F_opt f8_1int3s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3706.91801156; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1ts1o_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.86500069; Eh
	13-May-2025	TS2-3_singlet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D) GENECP	-2384.97583714; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts5s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4575999; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts3s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4548419; Eh

Results 2081-2090 of 2835 (Search time: 0.001 seconds).