Berlin ab-initio amino acid DB

Molecule: dipeptide Glycine+Sr


Formula C5H10N2O2Sr Method PBE+vdW
Charge 2.0 Code FHIaims
Last updated May 23, 2017 Citation
Tags: dipeptide
Filename Description
control.in Control.in file used to calculate sytem
Energy hierarchy Relatice energy hierarchy of conformers

Conformations of the molecule
conformer.0001.fhiaims Save xyz file View
conformer.0002.fhiaims Save xyz file View
conformer.0003.fhiaims Save xyz file View
conformer.0004.fhiaims Save xyz file View
conformer.0005.fhiaims Save xyz file View
conformer.0006.fhiaims Save xyz file View
conformer.0007.fhiaims Save xyz file View
conformer.0008.fhiaims Save xyz file View
conformer.0009.fhiaims Save xyz file View
conformer.0010.fhiaims Save xyz file View
conformer.0011.fhiaims Save xyz file View
conformer.0012.fhiaims Save xyz file View
conformer.0013.fhiaims Save xyz file View
conformer.0014.fhiaims Save xyz file View
conformer.0015.fhiaims Save xyz file View
conformer.0016.fhiaims Save xyz file View
conformer.0017.fhiaims Save xyz file View
conformer.0018.fhiaims Save xyz file View
conformer.0019.fhiaims Save xyz file View
Displaying: conformer.0001.xyz