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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Oct-2021	/GeomOpt_PBEPBE 2-Isopropoxy-5-nitrostyrene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-706.5283714; Eh
	15-Oct-2021	/GeomOpt_PBEPBE ethylene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-78.4683525; 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 M4	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-1099.4885138; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M3	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-1099.3155323; 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 M11	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-2293.5363638; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M7	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1498.2794375; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M5	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-1451.6139691; 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

Results 131-140 of 238 (Search time: 0.001 seconds).