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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Nov-2024	/Tetracene/Dimers Dimer_AE	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.64235251; Eh
	13-May-2025	TS3-4ON_triplet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2315.98593100; Eh
	29-Oct-2025	/SF/SF_sp f_1int1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-919.9413384; Eh
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3-CH2CH2CH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1262.32741914; eV
	31-Mar-2025	/P2W15Mo3_XII Mo3H_sing	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.34299788; Eh
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CCHCH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.73603989; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-sn-C3N4-CH3+CH2CH3	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.74652506; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CH2CCH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-528.46888337; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-526.61819020; eV
	29-Oct-2025	/SF/SF_opt f_1int1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-919.685666224; Eh

Results 1461-1470 of 2835 (Search time: 0.0 seconds).