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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	ni_c2_t7h_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-4045.2093053; Eh
	30-Jan-2023	oxydipicene_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-1765.80872052; Eh
	30-Jan-2023	oxydipicene_ts_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-1765.78911410; Eh
	30-Jan-2023	oxydipicene_ts_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1767.6163107; 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 NH3_(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)	-56.5641766872; Eh
	14-Sep-2023	/Scaling_factors N2O_(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)	-184.655945708; 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 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

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