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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Nov-2023	/Cluster_PBE-D2 Me2CO	Le, Hiep	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	DEF2SVP GEN	-192.772389859; Eh
	15-Nov-2023	/Cluster_PBE-D2 MeOH	Le, Hiep	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RPBEPBE	DEF2SVP GEN	-115.489275231; Eh
	15-Nov-2023	/Cluster_PBE-D3 TS11-1	Le, Hiep	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RPBEPBE	DEF2TZVP DEF2SVP GEN	-4080.72206476; Eh
	15-Nov-2023	/Cluster_PBE-D3 I11	Le, Hiep	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	DEF2TZVP DEF2SVP GEN	-4080.72803780; Eh
	15-Nov-2023	/Cluster_PBE-D3 Me2CO	Le, Hiep	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RPBEPBE	DEF2SVP GEN	-192.770467679; Eh
	15-Nov-2023	/Cluster_PBE-D3 ML	Le, Hiep	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RPBEPBE	DEF2SVP GEN	-459.469099959; Eh
	15-Nov-2023	/Cluster_PBE-D3 MeOH	Le, Hiep	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RPBEPBE	DEF2SVP GEN	-115.488524123; Eh
	14-Sep-2023	/Scaling_factors H2CO_(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)	-114.410488371; Eh
	14-Sep-2023	/Scaling_factors H2O_(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)	-76.3759808747; Eh
	14-Sep-2023	/Scaling_factors HCN_(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)	-93.3398727288; Eh

Results 192671-192680 of 192818 (Search time: 0.209 seconds).