cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.20026409
title: Mechanism of Carbon Dioxide and Propylene Oxide Ring Opening Copolymerization using a Co(III)/K(I) Heterodinuclear Catalyst

description: Data to support article:<br> <strong>Insights into the Mechanism of Carbon Dioxide and Propylene Ox-ide Ring Opening Copolymerization using a Co(III)/K(I) Heterodinuclear Catalyst</strong><br> <em>Journal of the American Chemical Society</em> <em>DOI:10.1021/jacs.2c06921 </em><br> https://doi.org/10.1021/jacs.2c06921 <br> <em>Authors: Arron C. Deacy,</em><sup><em>a</em></sup><em> Andreas Phanopoulos</em><sup><em>,a</em></sup><em> Wouter LIndeboom,</em><sup><em>a</em></sup><em> Antoine Buchard</em><sup><em>b</em></sup><em> and Charlotte K. Williams</em><sup><em>a</em></sup><em>* </em> <br> <sup>a</sup>Chemistry Research Laboratory, Oxford Chemistry, 12 Mansfield Road, Oxford, OX1 3TA, UK. <br> <sup>b</sup>Department of Chemistry, Centre for Sustainable and Circular Technologies, University of Bath, Claverton Down, Bath BA2 7AY, UK <br> *Email: charlotte.williams@chem.ox.ac.uk <br> For DFT inquiries: a.buchard@bath.ac.uk<br> Description:<br> DFT optimised geometries and computed free enthalpies of local minima (intermediates) and local maxima (transition states) were used to investigate the mechanism of the alternating copolymerization reaction between molecules of propylene oxide and CO<sub>2</sub>, catalyzed by a macrocyclic heterodinuclear Co(III)/K(I) complex. <br> Protocols:<br> Gaussian16 (rev C.01) software<br> Functional: rwB97XD Solvent model: cpcm=(tetrahydrofuran,read); eps=16; epsinf=1.867 <br> Basis sets:<br> C H: 6-31+g(d,p)<br> K O N: 6-311+g(d)<br> Co: SDD ECP and basis set<br> Free enthalpies were later recomputed using Grimme quasi-harmonic approximation of Grimme, with a cut off frequency of 100 cm–1, and a temperature and concentration correction (T=323.15 K, [CHO]=9.88 mol/L). <br> On various structures, QTAIM analysis was conducted using the AIMAll package. Non-covalent interactions were analysed using the NCIPLOT 3.0 program<br> Content: - Gaussian16 rev C.02 output files - QTAIM (.wfx (input), .sumviz and .g2dviz) and NCI (.cube) output files.<br> - Summary.xyz : a file that contains all geometries computed<br> - DFT Mechanism.pdf, illustrating the calculations made and summarising the free enthalpies computed
DOI: 10.34740/kaggle/dsv/4877251
title: MobilePhone's Dataset
DOI: 10.5281/zenodo.7554688
title: clariallabes_teugelsi_spades_01.fasta.gz

description: .
DOI: 10.5281/zenodo.7554687
title: clariallabes_teugelsi_spades_01.fasta.gz

description: .
DOI: 10.4121/17122553.v1
title: Impact Aware Manipulation (I.AM.) archive containing box impact recordings

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop boxes on a conveyor belt. The purpose of these experiments is to validate a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which<br>in these recordings are different type of boxes and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus.
DOI: 10.4121/17122553.v2
title: Impact Aware Manipulation (I.AM.) archive containing box impact recordings

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop boxes on a conveyor belt. The purpose of these experiments is to validate a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which<br>in these recordings are different type of boxes and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus.
DOI: 10.4121/17122553.v3
title: Impact Aware Manipulation (I.AM.) archive containing box impact recordings

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop boxes on a conveyor belt. The purpose of these experiments is to validate a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which<br>in these recordings are different type of boxes and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus.
DOI: 10.4121/17122553
title: Impact Aware Manipulation (I.AM.) archive containing box impact recordings

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop boxes on a conveyor belt. The purpose of these experiments is to validate a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which<br>in these recordings are different type of boxes and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus.
DOI: 10.4121/21387495.v1
title: I.AM. archive containing box-drop experiments for Velocity Based Parameter Identification of Box009

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop Box009 on a conveyor belt. The purpose of these experiments is to obtain data for velocity based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box009 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21387495.v2
title: I.AM. archive containing box-drop experiments for Velocity Based Parameter Identification of Box009

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop Box009 on a conveyor belt. The purpose of these experiments is to obtain data for velocity based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box009 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21387495
title: I.AM. archive containing box-drop experiments for Velocity Based Parameter Identification of Box009

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop Box009 on a conveyor belt. The purpose of these experiments is to obtain data for velocity based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box009 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21387483.v1
title: I.AM. archive containing box-drop experiments for Velocity Based Parameter Identification of Box007

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop Box007 on a conveyor belt. The purpose of these experiments is to obtain data for velocity based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box007 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21387483.v2
title: I.AM. archive containing box-drop experiments for Velocity Based Parameter Identification of Box007

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop Box007 on a conveyor belt. The purpose of these experiments is to obtain data for velocity based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box007 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21387483
title: I.AM. archive containing box-drop experiments for Velocity Based Parameter Identification of Box007

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop Box007 on a conveyor belt. The purpose of these experiments is to obtain data for velocity based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box007 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21024007.v1
title: Impact Aware Manipulation (I.AM.) archive containing box-drop experiments for Parameter Identification of Box006

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop Box006 on a conveyor belt. The purpose of these experiments is to obtain data for Parameter Identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box006 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21024007.v2
title: Impact Aware Manipulation (I.AM.) archive containing box-drop experiments for Parameter Identification of Box006

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop Box006 on a conveyor belt. The purpose of these experiments is to obtain data for Parameter Identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box006 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21024007
title: Impact Aware Manipulation (I.AM.) archive containing box-drop experiments for Parameter Identification of Box006

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, a UR10 robot is used to toss and drop Box006 on a conveyor belt. The purpose of these experiments is to obtain data for Parameter Identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box006 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21387510.v1
title: I.AM. archive containing box-drop experiments for Trajectory Based Parameter Identification of Box006

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, Box006 is manually tossed on a stationary conveyor belt. The purpose of these experiments is to obtain data for trajectory based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box006 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21387510.v2
title: I.AM. archive containing box-drop experiments for Trajectory Based Parameter Identification of Box006

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, Box006 is manually tossed on a stationary conveyor belt. The purpose of these experiments is to obtain data for trajectory based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box006 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21387510
title: I.AM. archive containing box-drop experiments for Trajectory Based Parameter Identification of Box006

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, Box006 is manually tossed on a stationary conveyor belt. The purpose of these experiments is to obtain data for trajectory based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box006 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21399657.v1
title: I.AM. archive containing long range box-toss experiments with Box005 and Box006 for validation of impact models

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, Box005 and Box006 are manually tossed on a stationary and a running conveyor. The purpose of these experiments is to validate the box-conveyor impact modeling framework to assess how well it can predict the rest-pose of the box. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu). The involved contact is between the object and the environment, which in these recordings are Box005 and Box006 and a conveyor (Conveyor002), respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information about the dataset, the objects, and the environments used, can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21399657
title: I.AM. archive containing long range box-toss experiments with Box005 and Box006 for validation of impact models

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, Box005 and Box006 are manually tossed on a stationary and a running conveyor. The purpose of these experiments is to validate the box-conveyor impact modeling framework to assess how well it can predict the rest-pose of the box. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu). The involved contact is between the object and the environment, which in these recordings are Box005 and Box006 and a conveyor (Conveyor002), respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information about the dataset, the objects, and the environments used, can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21816099.v1
title: I.AM. archive containing long-range tossing experiments for Trajectory Based Parameter Identification of Box012

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, Box012 is manually tossed on a stationary conveyor belt. The purpose of these experiments is to obtain data for trajectory based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box012 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21816099.v2
title: I.AM. archive containing long-range tossing experiments for Trajectory Based Parameter Identification of Box012

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, Box012 is manually tossed on a stationary conveyor belt. The purpose of these experiments is to obtain data for trajectory based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box012 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.
DOI: 10.4121/21816099
title: I.AM. archive containing long-range tossing experiments for Trajectory Based Parameter Identification of Box012

description: I.AM. archive as part of the Impact-Aware Robotics Archives Collection. This archive contains recordings of experiments that are executed under the scenario of TOSS. In these recordings, Box012 is manually tossed on a stationary conveyor belt. The purpose of these experiments is to obtain data for trajectory based parameter identification as part of a modeling framework. This modeling framework is used within the H2020 I.AM. project (www.i-am-project.eu) to predict the end pose of a certain box on a conveyor belt, after it is tossed. This means that the involved contact is between the object and the environment, which in these recordings are Box012 and a conveyor, respectively. All the recordings in the archive were performed at the Innovation Lab of Vanderlande, located within the TU/e campus. More information can be found on https://impact-aware-robotics-database.tue.nl/.