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Showing 6 open source projects for "ph"
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Inelastica
Transport code and tools based on SIESTA and TranSIESTA (DFT-NEGF)
NOTE: The Inelastica project moved to https://github.com/tfrederiksen/inelastica/ in February 2018. Pre- and post-processing tools for SIESTA (DFT, quantum chemistry) and TranSIESTA (quantum transport): (1) Calculate phonon frequencies, e-ph couplings, and inelastic contributions to the conductance (IETS). (2) Access Hamiltonian etc from Python. Some code documentation and installation instructions are available at this mediawiki page: http://dipc.ehu.es/frederiksen/inelastica/index.php. -
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The Acids and Bases chapters' (14 and 15) calculations are arguably the hardest calculations in all of AP Chemistry. With some problems taking as long as ten minutes to solve, the can be hard to wrap the mind around. However, with the Acids and Bases Program, a quick answer is never more than a click away.
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CCH
A genetics tool that identifies genomic regions of shared ancestry
...The associated publication regarding CCH may be accessed here: http://www.biomedcentral.com/1471-2164/16/163 If you use CCH please cite: Levine AP, Connor TM, Oygar DD, Neild GH, Segal AW, Maxwell PH, Gale DP. Combinatorial Conflicting Homozygosity (CCH) analysis enables the rapid identification of shared genomic regions in the presence of multiple phenocopies. BMC Genomics. 2015 Dec;16(1):1360. doi: 10.1186/s12864-015-1360-4. Epub 2015 Mar 10. -
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LibppGam
pp->gamma cross sections parametrization
This library contains the parametrization of pp->gamma cross section functions based on Phys.Rev. D90 (2014) 12, 123014 (astro-ph/1406.7369) work. The functions are written in Python, Fortran and Matlab. Please, if you use this library DO NOT reference to this webpage, instead reference to Phys.Rev. D90 (2014) 12, 123014 (astro-ph/1406.7369), "Parametrization of gamma-ray production cross-sections for pp interactions in a broad proton energy range from the kinematic threshold to PeV energies" by Ervin Kafexhiu, Felix Aharonian, Andrew M. ... -
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This is a set of scripts that helps with processing of NMR pH titration data. These scripts allow for fitting (using R) and plotting of data of multiple residues. The program needs to be made more user friendly.
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FAUNUS is an object oriented class library for molecular simulation, written in C++. It contains routines and utility programs for, Metropolis Monte Carlo sampling (NVT, NPT, NmuT ensembles), Macromolecules, Proton Titration, Widom Analysis etc.
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