The Digital Library of Mathematical Functions (DLMF) Project was initiated to perform a complete revision of Abramowitz and Stegun’s Handbook of Mathematical Functions with Formulas, Graphs, and Mathematical Tables, published in 1964 by the National Bureau of Standards. See R. F. Boisvert and D. W. Lozier (2001) for historical background about this important publication. The DLMF Project has updated and expanded the coverage for current needs. The results have been published in book form as the NIST Handbook of Mathematical Functions, by Cambridge University Press, and disseminated in the free electronic Digital Library of Mathematical Functions. For further details about the project see Preface.
Written by Patrick Chan (NASA Summer Intern 2001 Duke University sophomore), ThermoBuild is an interactive tool which uses the NASA Glenn thermodynamic database to select species and to obtain:
Tables of thermodynamic properties for a user-supplied temperature schedule.
Data subsets for use in CEA, SUBEQ or any other computer program.
To generate a data subset, click here.
This document tries to show some possible solutions for creating screen based presentations. Most of the listed solutions are LaTeX-based because I personally prefer LaTeX - and derived tools - over other documentation systems.
The Encyclopedia of Mathematics wiki is an open access resource designed specifically for the mathematics community. The original articles are from the online Encyclopaedia of Mathematics, published by Kluwer Academic Publishers in 2002. With more than 8,000 entries, illuminating nearly 50,000 notions in mathematics, the Encyclopaedia of Mathematics was the most up-to-date graduate-level reference work in the field of mathematics.
This directory was created to serve as an on-line professional network for graduate students, post-doctoral fellows, and faculty members in Departments of Chemistry in Canada. It is an updateable database that highlights information useful for career management in the chemical sciences.
POTLIB is an online library of global and semiglobal potential energy surface subprograms for calculating Born-Oppenheimer energies as a function of nuclear geometry. The library currently features more than 250 potential energy routines for a wide range of chemical systems. Our goal is to facilitate chemical dynamics research by collecting and disseminating a comprehensive collection of state-of-the-art potential energy routines (developed by a wide, international group of researchers) with systematic and well-defined interfaces for use with chemical dynamics programs.
This database provides style files (bst and sty) for use with LaTeX documents using BibTeX or AMSrefs to manage the bibliography. The styles are referenced by the academic journals to which they apply.
The Collected Algorithms (CALGO) is part of a family of publications produced by the ACM. Software associated with papers published in the Transactions on Mathematical Software, as well as other ACM journals are incorporated in CALGO.
ESTEST (es-test) is a framework to facilitate the verification and comparison of Electronic Structure codes like Qbox, Quantum Espresso, Siesta, ABINIT, and The Exciting Code. The ESTEST framework consists of three components: automated input/output handling; translation to unified-representation (UR) XML format tools; rich web interface.
The Computational Chemistry Comparison and Benchmark Database (CCCBDB) contains links to experimental and computational thermochemical data for a selected set of gas-phase atoms and molecules as well as tools for comparing experimental and computational ideal-gas thermochemical properties.
The Quantum Chemistry Literature DataBase (QCLDB) is a database of those papers published after 1978 which treat ab initio calculations of atomic and molecular electronic structure. From about thirty core journals they are collected, surveyed, and given proper tags revealing the content and essence of the paper by the group of young Japanese quantum chemists. Those theoretical works even without reporting any computational results are also collected which are judged to have significant relevance to ab initio calculations, while no semi-empirical calculations are included. QCLDB is finally edited and copyrighted by Quantum Chemistry DataBase Group (QCDBG).
A database containing many publicly available Gaussian basis sets for quantum chemistry calculations, including literature references. The basis sets can be displayed in input formats suitable for a number of quantum chemistry programs.