111 a 120 de 895 Resultados
10 dic 2021 -
Stressors, uplifts, coping and well-being in a sample of university faculty and staff in confinement due to covid-19
Adobe PDF - 3,1 MB -
MD5: 2f44e3b465c2867524da758cd3a2174b
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9 dic 2021 - Universidad Autónoma de Madrid
Carracedo-Cosme, Jaime; Romero-Muñíz, Carlos; Pou, Pablo; Pérez, Rubén, 2021, "QUAM-AFM", https://doi.org/10.21950/UTGMZ7, e-cienciaDatos, V1
QUAM–AFM is the largest dataset of simulated Atomic Force Microscopy (AFM) images generated from a selection of 685,513 molecules that span the most relevant bonding structures and chemical species in organic chemistry. QUAM-AFM contains, for each molecule, 24 3D image stacks, ea... |
9 dic 2021 -
QUAM-AFM
Archivo ZIP - 144,0 MB -
MD5: 547df5e75c2021d840d2acb0b73ac719
Set of dictionaries created with the pickle package (Python 3.7) linking each molecule with the IUPAC name and the chemical formula by the CID number in PubChem (https://pubchem.ncbi.nlm.nih.gov/) |
9 dic 2021 -
QUAM-AFM
Archivo ZIP - 145,2 KB -
MD5: 34bfbae7b0e0aab962d4b5de3167778c
Folder with the Python QUAM.py script that allows visualization and search of the AFM simulations using a Graphical User Interface (GUI) |
9 dic 2021 -
QUAM-AFM
Archivo ZIP - 274,1 GB -
MD5: aee5679ab8e29b2da58bdc11affcd5e9
Set of folders (each compressed in .tar.gz format) containing the AFM simulations split according to the simulation parameters (K-1,...,K-24), the ball and stick representations (JMOL_IMAGES), the atomic coordinates (XYZ_FILES), and the height maps (HM). IMPORTANT NOTE!. If main... |
9 dic 2021 -
QUAM-AFM
Texto plano - 19,3 KB -
MD5: eac7ee983c9bc62a72c4babe83f52881
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9 dic 2021 - Universidad Autónoma de Madrid
Carracedo-Cosme, Jaime; Romero-Muñíz, Carlos; Pou, Pablo; Pérez, Rubén, 2021, "QUAM-AFM Lite", https://doi.org/10.21950/BFAU11, e-cienciaDatos, V1
QUAM–AFM Lite is the scaled-down version of QUAM-AFM, the largest dataset of simulated Atomic Force Microscopy (AFM) images. This reduced version was generated from a selection of 1,755 molecules that span the most relevant bonding structures and chemical species in organic chemi... |
9 dic 2021 -
QUAM-AFM Lite
Texto plano - 19,3 KB -
MD5: d77e0803e5e59539f970e02e778bbb2e
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9 dic 2021 -
QUAM-AFM Lite
Archivo Gzip - 673,7 MB -
MD5: d55eb3cbcfc60b8b97b7d30a5eeab139
QUAM-AFM Lite contains simulated AFM images for 1755 molecules. These images are located in the QUAM folder. The GUI folder contains a Graphical User Interface (GUI) that allows visualization and search of the data in QUAM, using the Python pickle module dictionaries in the DICTI... |
Hoja de cálculo MS Excel - 110,2 KB -
MD5: 4c9c50519599e9021ebb5a8d05d41a66
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