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 Computers » Programming » Languages » Fortran » Source Code » Chemistry


 Web Pages    11 - 20   of   28 Back to Chemistry Home 


 11 - Potential Energy Surfaces Browse Website open in new window
By N. Sathyamurthy.

http://home.iitk.ac.in/~nsath/potentials.html
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 12 - Combustion Simulation Browse Website open in new window
Links to MECHMOD, software aid to the development of reaction mechanisms, and KINAL/KINALC, programs for the simulation and analysis of general mass action kinetics reaction mechanisms.

http://www.chem.leeds.ac.uk/Combustion/Combustion.html
[more pages from this URL] 


 13 - Projector Augmented Wave (PAW) Browse Website open in new window
The program atompaw generates projector and basis functions which are needed for performing electronic structure calculations based on the projector augmented wave (PAW) method. The pwpaw code is a plane wave implementation of the PAW method developed...

http://www.wfu.edu/~natalie/papers/pwpaw/man.html
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 14 - Potential Energy Surfaces Browse Website open in new window
by David Cappelletti.

http://leo.tech.ing.unipg.it/PES/
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 15 - Fast Newton-Raphson Torsion Angle Minimizer (FANTOM) Browse Website open in new window
Calculates low-energy conformations of polypeptides and proteins, compatible with distance and dihedral angle constraints obtained typically from NMR experiments. Free for academics.

http://bose.utmb.edu/fantom/fm_home.html
[more pages from this URL] 


 16 - FORTRAN Programs for the Simulation of Electrochemical Systems Browse Website open in new window
By John Newman.

http://www.cchem.berkeley.edu/jsngrp/fortran.html
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 17 - MDynaMix Browse Website open in new window
Open source, general purpose molecular dynamics code, written in Fortran 77, for simulating mixtures of either rigid or flexible molecules, interacting by a force field consisting of Lennard-Jones, electrostatic, covalent bonds, angles, and torsion an...

http://www.fos.su.se/~sasha/mdynamix/
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 18 - Quantum Mechanics in Chemistry Browse Website open in new window
Fortran code and documentation from the textbook by Jack Simons and Jeff Nichols.

http://www.csm.ornl.gov/comp_chemistry/ChemText.html
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 19 - Computational Chemistry List: Fortran codes Browse Website open in new window
Archive of Fortran codes.

http://www.ccl.net/cca/software/SOURCES/FORTRAN/index.shtml
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 20 - Simple Hartree-Fock example Browse Website open in new window
By Paul Stevenson, in Fortran 90.

http://personal.ph.surrey.ac.uk/~phs3ps/simple-hf.html
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