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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CHCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.77817804; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-C3H6-TS1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-527.40840485; eV
	25-Nov-2024	/Tetracene/Dimers Dimer_AB	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.63901360; Eh
	13-May-2025	eTS3-4ON_triplet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2355.31029073; Eh
	29-Oct-2025	/S9H/S9H_sp ts_f9_1ts1o_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4006.4087548; Eh
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3-CH2CHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1263.09245449; eV
	27-Aug-2025	bf3	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G++(D,P) GENECP	-324.494547288; Eh
	31-Mar-2025	/P2W15Mo3_XII Mo2H_sept	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.34427540; Eh
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CHCHCH3-TS1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-541.35462149; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CH2CH2CH3-TS1-1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-534.49303499; eV

Results 1521-1530 of 2835 (Search time: 0.001 seconds).