1. Institute of Chemical Research of Catalonia

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 2996 to 3015 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G4_3Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---588.19996397; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G5_1Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---602.68057482; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G5_2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---602.70895133; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G5_3Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---602.92073026; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G6_1Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---595.66643908; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G6_2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---596.03883428; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G6_3Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---595.97342433; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G7_1Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---595.95736137; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G7_2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---596.16645320; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G8_1Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---602.22120524; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G8_2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---602.19702418; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G8_3Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---602.48680291; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G9_1Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---596.09208494; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 G9_2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---595.96773774; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 phenol_methoxyLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---539.26670447; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 phenol_methoxy2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---539.42362242; eV
thumbnail.jpeg17-Oct-2017/Adsorption/niru/7x4 slab_Ni_RuLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---432.46296909; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/benzene benzeneLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---394.85401433; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/co coLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexFrequencies---333.99914515; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ru/3x3/h fLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexFrequencies---321.15286834; eV
Showing results 2996 to 3015 of 63196 < previous   next >