1. UdG

Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 2475 to 2494 of 5692 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Mar-2025H_25_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3549704; Eh
thumbnail.jpeg31-Mar-2025H_25_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.455507; Eh
thumbnail.jpeg31-Mar-2025H_26_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.780729430; Eh
thumbnail.jpeg31-Mar-2025H_26_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.870983137; Eh
thumbnail.jpeg31-Mar-2025H_26_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3572606; Eh
thumbnail.jpeg31-Mar-2025H_26_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4560621; Eh
thumbnail.jpeg31-Mar-2025H_27_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.803469920; Eh
thumbnail.jpeg31-Mar-2025H_27_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.863113824; Eh
thumbnail.jpeg31-Mar-2025H_27_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3802715; Eh
thumbnail.jpeg31-Mar-2025H_27_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4464651; Eh
thumbnail.jpeg31-Mar-2025H_28_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.813462919; Eh
thumbnail.jpeg31-Mar-2025H_28_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.847702598; Eh
thumbnail.jpeg31-Mar-2025H_28_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3904865; Eh
thumbnail.jpeg31-Mar-2025H_28_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4282747; Eh
thumbnail.jpeg31-Mar-2025H_29_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.781601207; Eh
thumbnail.jpeg31-Mar-2025H_29_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.864544218; Eh
thumbnail.jpeg31-Mar-2025H_29_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.359001; Eh
thumbnail.jpeg31-Mar-2025H_29_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4487777; Eh
thumbnail.jpeg31-Mar-2025H_30_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.775378592; Eh
thumbnail.jpeg31-Mar-2025H_30_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.853809323; Eh
Showing results 2475 to 2494 of 5692 < previous   next >