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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CH2+CHCH3	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-526.27037889; eV
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-triplet-INT1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-3606.94058522; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-singlet-TS3o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.94136830; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-singlet-TS3n	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.95139578; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-2-int1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-1217.88723136; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-2-int3o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	6-31G(D,P) GEN	-1217.90672177; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-triplet-TS1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-3606.90096380; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-triplet-INT2o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	GEN	-3606.94146329; Eh
	31-Mar-2025	/P2W15Mo3_X P2W15Mo3_X_2Mo-O(H)-Wbelt_3Wcap-O(H)-Wbelt_trip_10e	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6578.17046091; Eh
	18-Dec-2025	I2-Obridge	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP GEN	-1991.67316703; Eh

Results 1781-1790 of 2835 (Search time: 0.001 seconds).