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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 M1	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-1444.5065045; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M2	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-1444.5307359; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M17	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1493.0227482; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M20	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1146.2682235; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M19	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-1948.4886481; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M18	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-1948.4987251; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M14	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1491.41614244; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M15	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-1493.12797907; Eh

Results 192691-192700 of 192752 (Search time: 0.165 seconds).