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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-May-2025	tbInt4ON_oss	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2433.9691218; Eh
	13-May-2025	ibInt4ON_oss	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2433.979881; Eh
	29-Oct-2025	/S9/S9_sp s9_int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4005.9563275; Eh
	17-Jul-2025	/Pt2-C3N4 Pt2-CH2CH2CH3-TS2-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-540.25078874; eV
	17-Jul-2025	/Pt4 Pt4-C3H8-TS1-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-70.76807154; eV
	17-Jul-2025	/Pt2-C3N4 Pt2-C3N4-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-489.71224630; eV
	13-May-2025	ibTS3-5_singlet_MIN	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D) GENECP	-2433.95907259; Eh
	13-May-2025	tbMECP4-5_triplet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2433.95939602; Eh
	13-May-2025	tbMECP4-5_singlet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-31G(D) GENECP	-2433.95921359; Eh
	29-Oct-2025	/S9/S9_sp ts_2_s9_ts3oa_5	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4005.9830066; Eh

Results 1981-1990 of 2835 (Search time: 0.001 seconds).