Facultad de Ciencias

Dataverses destacados

Para usar esta funcionalidad ha de tener publicado al menos un dataverse.

Publicar dataverse

¿Está seguro de que quiere publicar su dataverse? Una vez hecho esto, deberá permanecer publicado.

Publicar dataverse

Este dataverse no puede publicarse porque el dataverse al que pertenece no se ha publicado.

Eliminar dataverse

¿Está seguro de que quiere eliminar este dataverse? No podrá recuperarlo.

61 a 70 de 186 Resultados

FAPI-MAPBr-vel-1-23-31ps-COMVTOL.xyz.bz2 19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study Archivo Bzip - 69.5 MB - MD5: 65ce925a713c9c2b290c31d80893bded Velocities in MD simulation of FAPI(0.875)MAPBr(0.125), times 23ps-31ps. Option COMVET_TOL to fix de center of mass was activated.
FAPI-MAPBr-vel-1.xyz-15001-23000.bz2 19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study Archivo Bzip - 69.5 MB - MD5: 1d5e3e56a0fa9827f6a09716a3b8b5d0 Velocities of FAPI(0.875)MAPbr(0.125) in a MD simulation for time interval 15-23 ps.
FAPI-MAPBr-vel-1.xyz-5001-15000.bz2 19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study Archivo Bzip - 86.9 MB - MD5: c86a784de761b2136505ce79a92e7ea3 Velocities of FAPI(0.875)MAPbr(0.125) in a MD simulation for time interval 5-15 ps.
FAPI-MAPI-NVT-Nose.tar.bz2 22 nov. 2021 - Molecular dynamics of halide perovskite alloys Bzip Archive - 2.0 MB - MD5: c3155ff31dc7104f8baf347301b77c2c
FAPI-MAPI-pos-1-5001-21000.xyz.bz2 22 nov. 2021 - Molecular dynamics of halide perovskite alloys Bzip Archive - 199.8 MB - MD5: cad8e77cd544eba68ef02e3df450f6b1
FAPI-MAPI-vel-1-5001-21000.xyz.bz2 22 nov. 2021 - Molecular dynamics of halide perovskite alloys Bzip Archive - 138.8 MB - MD5: bd3789e829ba3161b1cd6ef92ab8ac5a
FAPI-pos-1-16001-28000.xyz.bz2 19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study Archivo Bzip - 150.2 MB - MD5: abc0e62e06fbc1b7e61b3f7e6b3d3690 Velocities of molecular dynamics simulation of FAPI. Time interval: 16-28 ps.
FAPI-pos-1-8001-16000.xyz.bz2 19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study Archivo Bzip - 100.1 MB - MD5: d2d2b3c4de0ad9decced8f04281082a9 Coordinates of molecular dynamics simulation of FAPI. Time interval: 8-16 ps.
FAPI-VC-relax.tar.bz2 19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study Archivo Bzip - 132.7 KB - MD5: c1982e79ee265b33e9edd6278db4137c Variable cell relaxation of FAPbI3.
FAPI-vel-1-12001-16000.xyz.bz2 19 oct. 2022 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study Archivo Bzip - 34.7 MB - MD5: 50773c8957d185a9d1998e5c09ff5d23 Velocities of molecular dynamics simulation of FAPI. Time interval: 12-16 ps.

FAPI-MAPBr-vel-1-23-31ps-COMVTOL.xyz.bz2

19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study

Archivo Bzip - 69.5 MB -

Velocities in MD simulation of FAPI(0.875)MAPBr(0.125), times 23ps-31ps. Option COMVET_TOL to fix de center of mass was activated.

FAPI-MAPBr-vel-1.xyz-15001-23000.bz2

19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study

Archivo Bzip - 69.5 MB -

Velocities of FAPI(0.875)MAPbr(0.125) in a MD simulation for time interval 15-23 ps.

FAPI-MAPBr-vel-1.xyz-5001-15000.bz2

19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study

Archivo Bzip - 86.9 MB -

Velocities of FAPI(0.875)MAPbr(0.125) in a MD simulation for time interval 5-15 ps.