Browsing by Subject outer sphere

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 1 to 20 of 71  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Dec-2021/BindingMode/Common Hf-OHGaray Ruiz, DiegoADF; 2016Single pointPBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Common Hf-OR-tBuGaray Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Common HOHGaray Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Common HOOHGaray Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Common Ti-OHGaray Ruiz, DiegoADF; 2016Single pointPBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Common Ti-OR-tBuGaray Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Hf in_CmOOH_MeGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-21.11129639; Eh
thumbnail.jpeg22-Dec-2021/BindingMode/Hf in_CmOOH_tBuGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Hf in_HOOH_MeGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Hf out_CmOOH_MeGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Hf out_CmOOH_tBuGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Hf out_HOOH_MeGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Ti in_CmOOH_MeGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-21.05263522; Eh
thumbnail.jpeg22-Dec-2021/BindingMode/Ti in_CmOOH_tBuGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Ti in_HOOH_MeGaray Ruiz, DiegoADF; 2016Single pointPBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Ti out_CmOOH_MeGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Ti out_CmOOH_tBuGaray Ruiz, DiegoADF; 2016Single pointPBETZ2P-
thumbnail.jpeg22-Dec-2021/BindingMode/Ti out_HOOH_MeGaray Ruiz, DiegoADF; 2016Single pointPBETZ2P-
thumbnail.jpeg22-Dec-2021/LigandCoordination/Common MeOHGaray Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-
thumbnail.jpeg22-Dec-2021/LigandCoordination/Common ONMe3Garay Ruiz, DiegoADF; 2016Single pointPBETZ2P-