1. Barcelona Supercomputing Center

Browsing by Author Phung, Quan

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 21 to 40 of 295 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Jan-2024cisdPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPDEF2SVP-2466.45635920; Eh
thumbnail.jpeg8-Jan-2024cisd-cisPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization TSUB3LYPDEF2SVP-2466.45137683; Eh
thumbnail.jpeg8-Jan-2024cisd-cis-tzPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUB3LYPDEF2TZVP-2468.618912; Eh
thumbnail.jpeg8-Jan-2024cisd-tzPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUB3LYPDEF2TZVP-2468.623815; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S0 S0-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPGEN-10146.8699966; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S0 S0-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10151.9266648; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S1 S1-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPGEN-10146.4716410; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S1 S1-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10151.7897013; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S2 S2-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPGEN-10145.9773518; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S2 S2-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10151.6296524; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S3 S3-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPGEN-10145.3822188; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S3 S3-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10151.4453756; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S4 S4-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPGEN-10144.7135962; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S4 S4-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10151.2513617; Eh
Login required18-May-2024/electro-Sn/Fe1Mn4/S0 S0-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPDEF2TZVP DEF2SVP GEN-10259.5686215; Eh
Login required18-May-2024/electro-Sn/Fe1Mn4/S0 S0-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10264.6446122; Eh
Login required18-May-2024/electro-Sn/Fe1Mn4/S1-1A S1-1A-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPDEF2TZVP DEF2SVP GEN-10259.1681645; Eh
Login required18-May-2024/electro-Sn/Fe1Mn4/S1-1A S1-1A-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10264.5057261; Eh
Login required18-May-2024/electro-Sn/Fe1Mn4/S1-1B S1-1B-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPDEF2TZVP DEF2SVP GEN-10259.1489180; Eh
Login required18-May-2024/electro-Sn/Fe1Mn4/S1-1B S1-1B-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10264.4818546; Eh
Showing results 21 to 40 of 295 < previous   next >