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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-C3H6-TS2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-540.59966842; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CHCHCH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.76803250; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CHCHCH3-TS1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-540.98403703; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CHCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.44924941; eV
	25-Nov-2024	/Tetracene/Dimers Dimer_AC	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-1377.64564758; Eh
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3-CH2CH2CH3-TS2-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-1262.65153682; eV
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3-CH2CH2CH3-TS2-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-1262.55596824; eV
	13-May-2025	CH3CH3	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-79.8328451458; Eh
	31-Mar-2025	/P2W15Mo3_XII Mo2H_2_sept	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.33091218; Eh
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CHCHCH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-542.00812672; eV

Results 1511-1520 of 2835 (Search time: 0.001 seconds).