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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Sep-2023	/Scaling_factors NH3_(opt-freq)_-_PBE_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	6-311++G(2D,2P)	-56.5086196684; Eh
	14-Sep-2023	/Scaling_factors C2H2_(opt-freq)_-_PBE_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	6-311++G(2D,2P)	-77.2460921535; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M23	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1147.9645167; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M22	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1147.9701741; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M21	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1146.2620486; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M1	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GEN	-1444.65288902; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M2	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GEN	-1444.62456112; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M3	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GEN	-1099.58027493; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M23	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1148.03481912; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M22	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1148.04064312; Eh

Results 192691-192700 of 192740 (Search time: 0.154 seconds).