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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2023	pd_picyne_3_pph3_int_3_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP GEN	-3697.54119912; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_3_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.0946303; Eh
	14-Sep-2023	/Scaling_factors H2CO_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311++G(2D,2P)	-114.502021434; Eh
	14-Sep-2023	/Scaling_factors H2O_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311++G(2D,2P)	-76.4359419516; Eh
	14-Sep-2023	/Scaling_factors N2_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311++G(2D,2P)	-109.521878098; Eh
	14-Sep-2023	/Scaling_factors CO2_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311++G(2D,2P)	-188.585155748; Eh
	14-Sep-2023	/Scaling_factors H2_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311++G(2D,2P)	-1.17662580886; Eh
	14-Sep-2023	/Scaling_factors HCN_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311++G(2D,2P)	-93.4166899097; Eh
	14-Sep-2023	/Scaling_factors F2_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311++G(2D,2P)	-199.518219252; Eh
	14-Sep-2023	/Scaling_factors HF_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311++G(2D,2P)	-100.456089918; Eh

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