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 3016 to 3035 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/h hLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---321.09928586; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/h topLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---320.72229820; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/h2o h2oLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---331.86812704; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/o fccLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---324.65534186; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/o hcpLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---325.02430626; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/o topLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---323.66603851; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/oh fLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---328.29068377; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/oh hLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---328.29812816; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/phenol phenolLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---401.52437607; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/phenol_methoxy phenol_methoxyLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---424.27495983; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/slab slabLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---316.76318872; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/4x4 benzeneLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---641.61285461; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/4x4 phenolLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---648.28493047; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/4x4 phenol_methoxyLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---671.10023776; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/4x4 slabLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---563.34665574; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/4x4 staticLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---563.91403765; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/7x4 ALi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---995.77603337; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/7x4 BLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---995.55414275; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/7x4 benzeneLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---803.63388131; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/7x4 CLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---995.26734744; eV