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8 results for “Cartesian Coordinates”
Model output for "Numerically consistent budgets of potential temperature, momentum, and moisture in Cartesian coordinates: application to the WRF model"
<p>These data were produced with WRFlux v1.2.1 (https://github.com/matzegoebel/WRFlux/) from a numerical simulation with the community model WRF. Simulations represent the evolution of a convective boundary layer in the atmosphere over an idealized 2D mountain ridge. The data are published in connection with the article "Numerically consistent budgets of potential temperature, momentum and moisture in Cartesian coordinates: Application to the WRF model" in "Geoscientific Model Development" (https://doi.org/10.5194/gmd-15-669-2022).</p> <p>Three-dimensional (x, z, t) fields of five prognostic variables are provided: Potential temperature (T), water vapor mixing ratio (Q), cross-mountain (U), along-mountain (V), and vertical windspeed (W). All fields are averaged in time (30 min averaging interval) and in the along-mountain direction y.</p> <p>The repository contains the following files:</p> <p>grid.nc : variables related to the WRF numerical grid, air density<br> [U,W,T,Q]_flux.nc : resolved and subgrid-scale fluxes<br> [U,W,T,Q]_tendency.nc : resolved and subgrid-scale tendency components<br> UVWT_MEAN.nc : averaged values of the variables themselves<br> plotting.py : python script to approximately reproduce the figures of the paper. Requires the python packages matplotlib, xarray, and netcdf4.</p> <p>Figure 6 in the paper cannot be accurately reproduced with these data since the original figure uses 4D (x, y, z, t) output.</p> <p>For details on the simulation, refer to the article.</p>
Figure 11: Coding and decoding Cartesian coordinates of geometrical points-Brain Functors: A mathematical model of intentional perception and action
<p>The simplest form of a brain "functor" is just a two-way representation or coding system that constructs and implements a set of codes. Given some set of objects, it is encoded using some isomorphic set of representations or codes for the objects, and then given an instance of the code, it is decoded to determine the object. Coordinatizing is a form of coding. The geometrical plane is a collection of points, and the Cartesian coordinate system represents each point P by a pair (xP, yP) of coordinates. Given a point P , the "coordinate" function selects the coordinates (xP, yP) of the point which is the recognized or coded output, and given the coordinates or code for a point (xP, yP) as an input, the "plot" function designates the point.</p>
Cartesian Coordinates of Conformational Changes and Coordination Stability of Flexible Tripeptides During Ni(II)-Mediated Self-Assembly
<p>Cartesian Coordinates of Conformational Changes and Coordination Stability of Flexible Tripeptides During Ni(II)-Mediated Self-Assembly</p>
Galactic extinction within 400pc in cartesian coordinates
<p>Galactic 3D extinction of Leike et al 2020 using data of Anders et al 2019.</p> <p>See readme.txt or the information within the h5 files for more details.<br> </p>
Cartesian coordinates and rate constants obtained in "Radical Addition and H Abstraction Reactions in Ethane, Ethylene and Acetylene: A Gateway for Ethyl and Vinyl Bearing Molecules in the Interstellar Medium"
<p>Set of cartesian coordinates for reactants, pre-reactant complexes, transition states and products for the reactions presented in the manuscript "Radical Addition and H Abstraction Reactions in Ethane, Ethylene and Acetylene: A Gateway for Ethyl and Vinyl Bearing Molecules in the Interstellar Medium". </p> <p>The energy level employed in the optimisation was UMN15-D3BJ/def2-TZVP using a grid=ultrafine and the dispersion correction parameters recommended in Goerigk et al 2017 (https://pubs.rsc.org/en/content/articlelanding/2017/cp/c7cp04913g), all geometries and energies were obtained using Gaussian16 interfaced to ChemShell. </p> <p>Edit: The comment line of every structure includes its electronic energy (in Eh) and the Zero Point Vibrational Energy (in Eh).</p> <p>Edit: Additionally we included the reaction rate constants obtained with the instanton method at the level of theory mentioned above. These values serve as data behind the figure for the article. The first column of the rate constant file correspond to 1000/T in 1/K whereas the second column present the rate constant in s<sup>-1</sup></p> <p> </p>
Calculated structures of РТТА-nLi and Cartesian coordinates
<p>The file contains quantum-chemical calculations of the interaction of PTTA oligomers with different numbers of lithium atoms. And also investigated the data of interaction in the presence of two solvents: dimethyl carbonate (DMC) and tetraglyme (G4).</p> <p> </p> <p>The file contains calculated structures and cartesian coordinates of complex PTTA4[Li<sup>+</sup>(DMC)<sub>2</sub>] and products of reductive metallation of PTTA2 oligomer with 8 Li atoms and with 12 Li atoms.</p> <p>Calculated structures of the ion pairs [Li<sup>+</sup>(DMC)<sub>4</sub>] [PF<sub>6</sub><sup>-</sup>] and [Li<sup>+</sup>G4] [PF<sub>6</sub><sup>-</sup>].</p> <p>Calculated structures of complexes PTTA4[Li<sup>+</sup>(DMC)<sub>2</sub>] [PF<sub>6</sub><sup>-</sup>], PTTA4[Li<sup>+</sup>G4] [PF<sub>6</sub><sup>-</sup>] and PTTA4{[Li<sup>+</sup>(DMC)<sub>2</sub>] [PF<sub>6</sub><sup>-</sup>]}<sub>2</sub>.</p> <p>Calculated structures of complexes (PTTA3)<sub>3</sub>[Li<sup>+</sup>(DMC)<sub>2</sub>] [PF<sub>6</sub><sup>-</sup>] and (PTTA3)<sub>3</sub> [Li<sup>+</sup>G4] [PF<sub>6</sub><sup>-</sup>].</p> <p>Calculated specific metalation energies DЕ<sub>n </sub> of PTTA2 oligomer.</p> <p>Calculated structures of the isomers РТТА2(Li)<sub>2</sub> with Li atoms coordinated at (N,N), (O,O), (O,N) and (N,O) chelate knot.</p> <p>Calculated structures of РТТА2(Li)<sub>4</sub>, РТТА2(Li)<sub>6</sub> and dimers [PTTA2(Li<sub>4</sub>)]<sub>2</sub> and [PTTA2(Li<sub>6</sub>)]<sub>2</sub>.</p>
Cartesian coordinates of the Cpd I species
<p>.xyz-files containing the Cartesian coordinates in the snapshot at 2 ns the MD trajectory of the Cpd I species, cf. T. Stuyver, J. Huang, D. Mallick, D. Danovich, S. Shaik, TITAN: A code for modelling and generating electric fields - Features and applications to enzymatic reactivity, <em>J. Comput. Chem.</em> <strong>2019</strong>, <em>X</em>, XXX.</p>
Cartesian Coordinates of Unraveling Effects of Counter-Anions and Intramolecular Interaction on the Initial Coordination Stage of Ni(II) Ions with a Flexible Tripeptide
<p>Cartesian Coordinates of Unraveling Effects of Counter-Anions and Intramolecular Interaction on the Initial Coordination Stage of Ni(II) Ions with a Flexible Tripeptide</p>
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OpenNeuro
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