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Gas Research Institute Category: Physical University of California at Berkeley, Stanford University, The University of Texas at Austin, and SRI International provides reaction mechanism and thermochemical data of selected small molecules (e.g. 1-3 heavy atoms) and radicals, e.g. CN(g). Also input files for the Sandia National Laboratory Chemkin-II programs. http://www.me.berkeley.edu/gri_mech/index.html The Centre for Interdisciplinary Studies in Chemical Physics Category: Physical Interests can be broadly classified into five general areas: energy deposition, surface science, biological applications, properties of condensed matter and properties of isolated atoms and molecules. http://www.uwo.ca/ccp Quantum MagiC Category: Chemistry Quantum Monte Carlo code, available on request, to solve the electronic, non-relativistic, clamped-nuclei Schrödinger equation. The current version performs variational Monte Carlo (VMC) and fixed-node diffusion Monte Carlo (DMC) computations of the energy and other properties of atoms and molecules. http://www.cchem.berkeley.edu/~walgrp/ Chemistry Visualization Program at NCSA (ChemViz) Category: Multimedia Chemviz is a program which uses the power of the World Wide Web in combination with the power of the SGI supercomputer to generate images of atoms, molecules, and atomic orbitals. The user inputs a set of parameters as they are prompted and submits these parameters to the supercomputer. A picture file is generated which the user downloads and views. http://chemviz.ncsa.uiuc.edu/ Adaptive Coordinate Real-space Electronic Structure code (ACRES) Category: Physics Density-functional theory (DFT) code designed to perform total energy calculations for atoms, molecules, bulk solids and surfaces on parallel computers such as CM-5, IBM SP2 and ORIGIN 2000. These calculations are performed in real space on a grid that is adapted to spatially inhomogeneous cutoff (or resolution) requirements of a given system. http://cst-www.nrl.navy.mil/~singh/acres/info.html Institute of Physics Category: Associations Devoted to basic research in the fields of physics of atoms, molecules and plasma and solid state physics including surface science. Zagreb, Croatia. http://www.ifs.hr/en/ Category: Associations Category: Physical Category: Physical Category: Multimedia Category: Physics Category: Chemistry
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