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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Oct-2021	/P2BMe24_system C-D-TS-P2BMe24_triplet	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-5053.8050318; Eh
	4-Oct-2021	/P2BMe24_system D-P2BMe24_triplet	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-5053.833876; Eh
	4-Oct-2021	/P2BMe24_system D-P2BMe24_oss	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-5053.833926; Eh
	13-Jun-2022	/Electronic_structure/DFs COF-Co_quartet_M06	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM06	DEF2TZVP DEF2SVP GEN	-2527.84158608; Eh
	13-Jun-2022	/Electronic_structure/DFs COF-Co_doublet_M06	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM06	DEF2TZVP DEF2SVP GEN	-2527.83639297; Eh
	1-Apr-2023	co-pc_+1_3_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3049.27949393; Eh
	1-Apr-2023	co-pc_CO2_+1_3_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UM06	GEN	-3237.87195985; Eh
	1-Apr-2023	co-pc-Im_+1_3_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3275.46738720; Eh
	1-Apr-2023	co-pc_CO_+2_2_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3162.38270258; Eh
	1-Apr-2023	co-pc_+2_2_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3049.07024724; Eh

Results 51-60 of 93 (Search time: 0.001 seconds).