I'm clearing the bookmarks in our PC 'cause my brother is back. So here they are:
http://habrahabr.ru/blogs/i_am_clever/39932/
http://www.ehow.com/how_2855_write-rough-draft.html
http://www.nkj.ru/archive/articles/6068/
http://thermotree.narod.ru/
http://www.world-art.ru/animation/animation.php?id=6741
The Student-engineered Open Textbook: Chemical Process Dynamics and Controls - Creative Commons
Coupling between Protein and Reaction Dynamics in Enzymatic Processes: Application of Grote−Hynes Theory to Catechol O-Methyltransferase - Journal of the American Chemical Society (ACS Publications)
NASA ADS: Electrochemical proton-coupled electron transfer: Beyond the golden rule
Lecture 12: Proton conduction, proton channels, proton wells
Are Anion Radicals Nucleophiles and/or Outersphere Electron Donors? An Ab Initio Study of the Reaction of Ethylene and Formaldehyde Anion Radicals with Methyl Fluoride and Chloride - Journal of the American Chemical Society (ACS Publications)
A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron Transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces As Exemplified by the Reaction between Phenol and Radicals - Journal of the American Chemical Society (ACS Publications)
QuickStart - BOINC - Trac
Sunday, January 31, 2010
Thursday, January 21, 2010
F*ck the system)) F*ck your self-vision, I mean
I do hate self-control. I mean, I've understood recently that it's better to be not the most efficient person in the world, but the most happy.
Labels:
freedom of soul
Wednesday, January 20, 2010
changing cases
sed 's/[[:lower:]]/\u&/g'
this quick and simple sed command helps in further editing of GAMESS input files.I was suffering of case-sensitivity of sed because I had a lot of GAMESS inputs where 'optimize' could be written as 'Optimize' or 'OPTIMIZE'. So I had to change RUNTYP by hands in a really huge number of molecular entities).
I'm happy now.
I'm happy now.
Thursday, January 14, 2010
PROFESS
PROFESS=PRinceton Orbital-Free Electronic Structure Software
I was interested in it because of ability to compute properties of really huge (10^5 or even more atoms). So, it's a good precision to study protein conductivity. unfortunately, I'm too busy in my daily projects, so the only thing I'm going to do with it currently is writing this post. Probably, I'll read it someday and remember about this interesting approach.
I was interested in it because of ability to compute properties of really huge (10^5 or even more atoms). So, it's a good precision to study protein conductivity. unfortunately, I'm too busy in my daily projects, so the only thing I'm going to do with it currently is writing this post. Probably, I'll read it someday and remember about this interesting approach.
Labels:
dft,
nanomodelling,
orbital-free
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