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Showing results 1 to 20 of 48  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_1CCHβRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1075.05546443; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_1CNαRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1107.26007449; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_1COHβRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1149.41501920; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_1FαRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1121.26123781; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_1FβRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1121.26442249; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_1HαRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-922.779114752; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_1OHβRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1073.21609004; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_1SHαRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1719.14498273; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_1SHβRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1719.14242226; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_2CCHRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1075.05706528; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_2FRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1121.25338049; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_2HRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-922.772613484; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_CNβRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1107.26016175; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_NH2βRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1033.48110976; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_NO2βRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1331.76262224; Eh
thumbnail.jpeg24-Jul-2025Left_Dinaphtho_pentalene_NOβRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1181.35184957; Eh
thumbnail.jpeg24-Jul-2025Right_Dinaphtho_pentalene_1CCHβRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1075.05546442; Eh
thumbnail.jpeg24-Jul-2025Right_Dinaphtho_pentalene_1CNαRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1107.26007445; Eh
thumbnail.jpeg24-Jul-2025Right_Dinaphtho_pentalene_1COHβRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1149.41501919; Eh
thumbnail.jpeg24-Jul-2025Right_Dinaphtho_pentalene_1FαRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D)-1121.26123827; Eh
Showing results 1 to 20 of 48  next >