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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3-CH2CHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1268.13016073; eV
	27-Aug-2025	/Mechanism_A fig1_ts_II-IV_2	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G++(D,P) GENECP	-2772.18536802; Eh
	27-Aug-2025	/Mechanism_A fig1_ts_IV-V	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G++(D,P) GENECP	-2772.22260283; Eh
	17-Feb-2025	Fe4-SK-OH2_-6_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.88531594; Eh
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-C3H8-TS1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.54752119; eV
	17-Feb-2025	Fe4-SK-OH_-7_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.42562932; Eh
	31-Mar-2025	/P2W15Mo3_XII Mo1H_2_trip	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	LANL2DZ 6-31G(D,P)	-6579.32680748; Eh
	12-Nov-2024	/Pt1-C3N4 C3N4	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-474.49974307; eV
	13-May-2025	tpInt4ON_oss	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2394.6513227; Eh
	29-Oct-2025	/S9/S9_opt s9_int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-4005.47357924; Eh

Results 1831-1840 of 2835 (Search time: 0.001 seconds).