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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Feb-2024	B12I11_C8H7SO3_H_isomer4	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-4508.80782477; Eh
	9-Jan-2024	/Rh2(s-dosp)4_system dosp_Rhcarbene_abbb_trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-5515.66878098; Eh
	9-Jan-2024	/Rh2(s-dosp)4_system dosp_Rhcarbene_abbb_cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-5515.68209050; Eh
	22-Sep-2023	Acephate_CONF1_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1178.7686724; Eh
	9-Jan-2024	/Rh2(OAc)4_system 1_Ph-trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-685.110821505; Eh
	9-Jan-2024	/Rh2(OAc)4_system 1_Ph-cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-685.112669755; Eh
	9-Jan-2024	/model_system ketene_acetal_H-trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1553.83693742; Eh
	9-Jan-2024	/model_system CH_star_H	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1553.87929269; Eh
	9-Jan-2024	/Rh2(s-dosp)4_system dosp_Rhcarbene_aabb2_trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-5515.68589488; Eh
	9-Jan-2024	/Rh2(s-dosp)4_system dosp_Rhcarbene_aabb_trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-5515.68755530; Eh

Results 15451-15460 of 15537 (Search time: 0.015 seconds).