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10 days agoAs part of the research project I’m working on here at the Babes-Bolyai University in Romania, I must now pay a visit to prof.
42 days agoGabedit is a graphical interface for the Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, PCGamess, and Q-Chem computational chemistry
47 days agoMost awful post title ever, I know, but maybe I’m still hooked on prof. Schaefer’s conference from two weeks ago. I went fishing on Sunday
58 days agoThe Computational Chemistry List ( CCL ) is a web based forum in which is possible to discuss basically every aspect regarding computational
80 days ago. Link: http://raffysaldana.blogspot.com/2009/04/photos-euasiagrid-meeting-on.html Date: 21 April 2009 The EUAsiaGrid Project is an
98 days agoI've been following this very interesting discussion about GAMESS, quantum chemistry and software development.Anything that I would have to
118 days agoLast week I was in need of some conversion utilities. I ran some geometry optimizations in GAMESS and wanted to do three things:Use the
121 days agoI’ve decided what will my topic be this edition of Molmod! Some years ago, back at UNAM, we published a paper entitled: “ Phosphane Free Heck
122 days agoAutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to
122 days agoOnce again I’ve run into the same ‘ol discussion: why DFT is better than HF. Of course DFT has some advantages over HF in many cases, the
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