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yalefield金虫 (文坛精英)
老汉一枚
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[交流]
【分享】WebMO version 10.0
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WebMO version 10.0 has been officially released and is available for FREE download at http://www.webmo.net/download WebMO is a web-based interface to popular computational chemistry programs including GAMESS, Gaussian, Molpro, MOPAC, NWChem, PC-Gamess, PQS, PSI, QChem, and Tinker. WebMO permits users to build molecular structures, submit jobs, monitor job progress, and view text and graphical results using only a web-browser. This web-based architecture gives users full access to state-of-the-art computational chemistry programs without the need to install any software on their computers. It also minimizes license costs and maintenance time. New features in WebMO version 10.0 include: * Updated support for Gaussian09, MOPAC 2009, Gamess 2009, Molpro 2009, NW-Chem 5.1, PC-Gamess 7.1, PQS 3.3, Q-Chem 3.2, Tinker 5.0 * New support for PSI 3.5 and Firefly 7.1 * New Windows 7 support and improved Vista and OS X support * Auto-resizing of Editor and Viewer applets to fit browser window size * Dramatically improved MOViewer interface and memory usage * Scaling of vibrational frequencies * Save spectra as images or text files * Save animations as movies (animated GIFs) * Integration with system clipboard, printers, and filesystem * Parsing and viewing of ESP charges in Gaussian * Parsing and viewing of NBO natural population analysis * Improved support for UHF and ROHF calculations * Many user interface enhancements and bug fixes WEBMO IN TEXTBOOKS Donald McQuarrie's "Quantum Chemistry" (2nd edition) textbook states that WebMO is the computational chemistry interface "most commonly used by undergraduate chemistry students" (p. 631-636) and provides many homework problems that use WebMO (pp. 658-660). Ira Levine's "Quentum Chemistry" (6th edition) textbook encourages readers to "use a free online demonstration version of the program WebMO to build a molecule, view the corresponding z-matrix, and even run a variety of computations" (p. 545). WEBMO WORKING DEMO WebMO is a web-based product, so you don't need to install any software on your computer to use it! Simply go to http://www.webmo.net/demo click the WebMO Demo Server link, login as username="guest" and password="guest" (without the quotes), and try out the latest features of WebMO! If WebMO meets your needs, you can then download a copy and install it locally on your Linux, Windows, or Mac computer. Enjoy! The WebMO Team |
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4楼2009-12-24 11:00:43