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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Mar-2025	/TD-DFT_Calculations Mo3H_Trip_TD-DFT	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP; TD-FC	LANL2DZ 6-31G(D,P) GEN	-6579.3756468; Eh
	26-Nov-2024	/Tetracene/Trimers Trimer_AEJ	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-2066.46753272; Eh
	29-Oct-2025	/S9H/S9H_opt f9_1int1o_3	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-4005.86609046; Eh
	31-Mar-2025	/TD-DFT_Calculations Mo2H_Quin_TD-DFT	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP; TD-FC	LANL2DZ 6-31G(D,P) GEN	-6579.3578956; Eh
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CHCHCH3-TS2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-541.43414159; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CH2CH2CH3-TS1-1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.13158474; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-C3H6	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-528.68149085; eV
	26-Nov-2024	/Tetracene/Trimers Trimer_ABF	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-2066.46125090; Eh
	26-Nov-2024	/Tetracene/Trimers Trimer_ABI	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-2066.46018577; Eh
	26-Nov-2024	/Tetracene/Trimers Trimer_ACK	Ionut Octavian, Stan	GronOR; 23.00; under active development	NOCI	NOCI-Fragments	-	-2066.47395921; Eh

Results 1561-1570 of 2835 (Search time: 0.001 seconds).