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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jul-2024	W10	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GEN	-3087.50863636; Eh
	25-Nov-2024	/Tetracene/Dimers Dimer_BC	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.63799472; Eh
	25-Nov-2024	/Tetracene/Dimers Dimer_AH	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.64506426; Eh
	9-Jun-2025	v10-2H-2e	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2823.57143395; Eh
	9-Jun-2025	v10-2e-M2	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2822.55292997; Eh
	31-Mar-2025	/P2W15Mo3_XII Mo3H_trip	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.37564683; Eh
	12-Nov-2024	/Pt3-Sn-C3N4 Pt4-C3N4-C3H6-TS_(σ_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-540.52387938; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CHCCH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.44352931; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-C3H8-TS	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.28869141; eV
	25-Nov-2024	/Tetracene/Dimers Dimer_AG	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.64532946; Eh

Results 1451-1460 of 2835 (Search time: 0.001 seconds).