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Latest computational chemistry Stories

2013-03-14 17:52:46

RUB researchers give floppy molecule a structure through solvent effects How you get the chameleon of the molecules to settle on a particular "look" has been discovered by RUB chemists led by Professor Dominik Marx. The molecule CH5+ is normally not to be described by a single rigid structure, but is dynamically flexible. By means of computer simulations, the team from the Centre for Theoretical Chemistry showed that CH5+ takes on a particular structure once you attach hydrogen molecules....

2013-01-23 23:00:02

PAT software to optimize biopharmaceutical development and manufacturing processes; Chemometrics software for Design of Experiments (DoE) and multivariate data analysis (MVA) Malmo, Sweden (PRWEB) January 23, 2013 Umetrics announces that they have entered into a global sales partnership with Sartorius Stedim Biotech (SSB), a leading international pharmaceutical and biotech supplier. Under the cooperation agreement SSB will embed Umetrics technology into SSB products. SSB will assume global...

2012-09-19 15:19:49

A new model provides an alternative description of atomic level gold bonding A study on how gold atoms bond to other atoms using a model that takes into account bonds direction has been carried out by physicist Marie Backman from the University of Helsinki, Finland, and colleagues. These findings, which are about to be published in EPJ B, are a first step toward better understanding how gold binds to other materials through strong, so-called covalent, bonds. What scientists need is an...

Study Properties Of Smallest Water Droplets Known
2012-08-16 10:48:49

Brett Smith for redOrbit.com - Your Universe Online Using computer modeling, researchers at the University of California, San Diego and Emory University have revealed new details surrounding hexamer structures that are considered to be the smallest droplets of water. "Ours are the first simulations that use an accurate, full-dimensional representation of the molecular interactions and exact inclusion of nuclear quantum effects through state-of-the-art computational approaches,”...


Word of the Day
mundungus
  • A stinking tobacco.
  • Offal; waste animal product; organic matter unfit for consumption.
This word comes from the Spanish 'mondongo,' tripe, entrails.