Related:
Calculations
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- Astronomy Calculations
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Schwerdtfeger, Peter (Popularity:  )
(Score: 16.96)
http://www.che.auckland.ac.nz/staffsites/SchwerdtfegerP/schwerdtfeger/ndx_nnav.html
Ab initio quantum chemistry with a particular focus on relativistic calculations (University of Auckland).
Category:
Main\Science\Chemistry\Computational\Research Groups
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Q-Chem, Inc. (Popularity: )
(Score: 16.96)
http://www.q-chem.com/
Developer and provider of quantum chemistry software for ab initio electronic structure calculations.
Category:
Main\Science\Chemistry\Software\Companies
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Pyykkö, Pekka (Popularity: )
(Score: 16.78)
http://www.chem.helsinki.fi/~pyykko/
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
Category:
Main\Science\Chemistry\Computational\People
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MOLPRO (Popularity: )
(Score: 16.61)
http://www.molpro.net/
Ab-initio Fortran 90 programs for molecular electronic structure calculations, designed and maintained by H.-J. Werner and P. J. Knowles.
Category:
Main\Computers\Programming\Languages\Fortran
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AMMP (Popularity: )
(Score: 14.95)
http://www.cs.gsu.edu/~cscrwh/ammp/ammp.html
A free program suite for molecular mechanics, dynamics and modeling with some special features like docking or ab initio DFT calculations. Runs under Linux/Unix and Win9x. The site provides access to the documentation and offers on-line tutorials.
Category:
Main\Science\Biology\Biochemistry and Molecular Biology\Biomolecules
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Carter, Emily A. (Popularity: )
(Score: 14.80)
http://www.chem.ucla.edu/carter/
Ab initio quantum chemistry and ab initio molecular dynamics, with an emphasis on condensed phases (UCLA).
Category:
Main\Science\Chemistry\Computational\Research Groups
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Quantum Chemistry Literature DataBase (Popularity: )
(Score: 14.18)
http://qcldb2.ims.ac.jp/
A literature database on ab initio MO calculations published in major journals of Chemistry, Physics and Computer Science since 1978.
Category:
Main\Science\Chemistry\Physical\Databases
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NIH Center for Molecular Modeling (Popularity: )
(Score: 13.95)
http://cmm.cit.nih.gov/modeling/
Supplier of molecular modeling resources and expertise to the NIH research community. Development and application of theoretical and computational methodologies, from ab initio calculations of small organic molecules to molecular mechanics simulations ...
Category:
Main\Science\Chemistry\Computational\Research Groups
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Ab initio Investigation of Water Clusters (Popularity: )
(Score: 13.21)
http://chem.unipune.ernet.in/anant/
A site related to the ab initio investigations of water clusters (H2O)n, n=2-20, to study Structure and Stability. The research publication abstract and structures of lowest energy conformers are also available.
Category:
Main\Science\Chemistry\Physical
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Process Ace Software (Popularity: )
(Score: 12.23)
http://www.processacesoftware.com
Palm OS hand-held computer software for Process & Mechanical Engineers. Titles include Gas Fired Heater Calculations, Process Ace Steam Properties, Pump Calculations and Steam Turbine Calculations.
Category:
Main\Science\Technology\Chemical Engineering\Software
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Wire Gauge calculations (Popularity: )
(Score: 12.03)
http://www.mogami.com/e/cad/wire-gauge.html
Java script based online AWG calculations.
Category:
Main\Science\Technology\Electronics\Reference
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FeynCalc (Popularity: )
(Score: 11.93)
http://www.feyncalc.org/
Mathematica package for algebraic calculations in elementary particle physics, focusing on Feynman diagram calculations.
Category:
Main\Science\Physics\Particle\Software
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Chemical and Plant Engineering Calculations (Popularity: )
(Score: 11.57)
http://tierling.home.texas.net/default.htm
Online calculations for equipment sizing and rating for compressor, distillation column, exchanger, pump, and line hydraulic ratings.
Category:
Main\Science\Technology\Chemical Engineering\Software
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Fermat (Popularity: )
(Score: 11.57)
http://www.bway.net/~lewis/
Computer algebra system that does arithmetic of arbitrarily long integers and fractions, symbolic calculations, graphics, and other numerical calculations. Free download. Documentation.
Category:
Main\Science\Math\Algebra\Software
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Vienna Ab-Initio Simulation Package (VASP) (Popularity: )
(Score: 11.54)
http://cms.mpi.univie.ac.at/vasp/
Performs ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. The approach implemented in VAMP/VASP is based on a finite-temperature local-density approximation (with the free energy as variational quantity ...
Category:
Main\Computers\Programming\Languages\Fortran
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Tanker Cargo Calculations (Popularity: )
(Score: 11.26)
http://www.cargocal.com/
Crude product ship tanker calculations solver optimization spreadsheet (Excel/Lotus123).
Category:
Main\Business\Transportation and Logistics\Maritime\Services
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Interactive Statistical Calculations Page (Popularity: )
(Score: 11.15)
http://members.aol.com/johnp71/javastat.html
Collection of over 300 links to web pages that perform statistical calculations.
Category:
Main\Science\Math\Statistics
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TechEng Designs (Popularity: )
(Score: 11.11)
http://www.eng-applications.com
Software for engineering calculations. Functionality to automate calculations for: tank capacity, orifice diameters, liquid flow and engineering unit and environmental conversions.
Category:
Main\Science\Technology\Software for Engineering\Companies
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Holiday Calculations (Popularity: )
(Score: 10.99)
http://abledesign.com/programs/holiday.php
Free library of PHP tools for calculating holidays. It includes actual/observed days, Easter Sunday, day/week of month calculations, and the number of weeks in a month containing a specific day.
Category:
Main\Computers\Programming\Languages\PHP
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Expression Calculator (Popularity: )
(Score: 10.99)
http://excalc.vestris.com/
Performs over a hundred simple, and complex calculations, with the ability to make several calculations simultaneously. Functions range from simple trigonometry, to Gaussian integrals, through 2D plots. [Win95/98/Me/NT/2000]
Category:
Main\Computers\Software\Shareware\Windows
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LMNO Engineering: Calculations and equations for fluid mechanics, hydrology, and hydraulics (Popularity: )
(Score: 10.73)
http://lmnoeng.com/index.shtml
Interactive online calculation of a wide range of equations for open channels, pressure pipes, and runoff. Some free calculations, some require paid registration.
Category:
Main\Science\Environment\Water Resources\Products and Services
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CalculiX (Popularity: )
(Score: 10.66)
http://www.calculix.de
A free finite element program for three-dimensional linear and nonlinear structural calculations. It includes (an)isotropic linear elastic, hyperelastic and viscoplastic material models for static, frequency, buckling and implicit/explicit dynamic calculations ...
Category:
Main\Science\Technology\Software for Engineering\Finite Element Analysis
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WIEN 2k (Popularity: )
(Score: 10.51)
http://www.wien2k.at/
Fortran 90 code to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, among the most accurate schemes for ...
Category:
Main\Computers\Programming\Languages\Fortran
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Ground-it.com Consulting Ltd. (Popularity: )
(Score: 10.37)
http://www.ground-it.com/
Software for power system analyses required to determine ground potential rise, calculations to determine step and touch potentials, and calculations related to effects of induction and ground currents on pipelines.
Category:
Main\Science\Technology\Software for Engineering\Electrical Engineering
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Geostationary Satellite Link Budget Calculations (Popularity: )
(Score: 10.19)
http://www.geocities.com/senol_gulgonul/linkbudget/
More link budget calculations using Intelsat formulae.
Category:
Main\Science\Technology\Television\Satellite
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CoPilot Flight Planning Software (Popularity: )
(Score: 10.08)
http://lauriedavis9.tripod.com/copilot/
An application program for the Palm Computing Platform that performs flight planning calculations --calculations that you would usually perform with a ruler, a protractor and an E6B calculator. Stores data for flights so that you can refer back to previous ...
Category:
Main\Shopping\Recreation\Aviation\Software
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Better Ideal Weight Calculations (Popularity: )
(Score: 9.93)
http://www.halls.md/ideal-weight/body.htm
Better Ideal Weight - body calculations, Four methods compared
Category:
Main\Health\Women's Health\Resources
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QuikGear (Popularity: )
(Score: 9.87)
http://quickgear.bizland.com
Offers involute gear calculations software, spline and spline gage calculations software covering six major spline standards. Site includes software, gear definitions and formula. Freeware and commercial version.
Category:
Main\Science\Technology\Mechanical Engineering\Software
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Ab-Initio Research Group at MIT (Popularity: )
(Score: 9.79)
http://ab-initio.mit.edu
headed by Prof. J. D. Joannopoulos
Category:
Main\Science\Physics\Condensed Matter\Organizations
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Interactive website for groundwater calculations, software, and equations (Popularity: )
(Score: 9.74)
http://www.LMNOeng.com/Groundwater
LMNO Engineering, Research, and Software, Ltd., website has interactive calculations for groundwater flow and contaminant transport.
Category:
Main\Science\Environment\Water Resources\Groundwater
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First Principles Research (Popularity: )
(Score: 9.59)
http://www.firstprinciples.com/
Ab initio quantum chemistry and computational studies of superconductors.
Category:
Main\Science\Chemistry\Computational\Research Groups
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Simplified Introduction to Ab Initio Basis Sets. Terms and Notation (Popularity: )
(Score: 9.49)
http://www.ccl.net/cca/documents/basis-sets/basis.html
An article by Jan K. Labanowski.
Category:
Main\Science\Chemistry\Computational\Ab Initio and Density Functional
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Sherrill, C. David (Popularity: )
(Score: 9.39)
http://vergil.chemistry.gatech.edu/
Ab initio and density functional quantum chemistry (Georgia Institute of Technology).
Category:
Main\Science\Chemistry\Computational\Research Groups
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Initio (Popularity: )
(Score: 9.20)
http://www.initio.com/
Manufactures input/output solutions for the microcomputer industry, including SCSI host adapters and software.
Category:
Main\Computers\Hardware\Buses\SCSI
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Thiel, Walter (Popularity: )
(Score: 9.20)
http://www.mpi-muelheim.mpg.de/kofo/institut/arbeitsbereiche/thiel/english/thiel_e.html
Ab initio, density functional and semiempirical methods; QM/MM simulations. (Max Planck Institute for Bioinorganic Chemistry)
Category:
Main\Science\Chemistry\Computational\Research Groups
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Ab initio (Popularity: )
(Score: 9.11)
http://abinitio.be/
Brussels firm specializes in print and multimedia design and corporate identity. Includes portfolio and contact information.
Category:
Main\Business\Business Services\Design\Graphic Design
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Ab Initio Software Corporation (Popularity: )
(Score: 9.11)
http://www.abinitio.com/
Quietly increasing the competitiveness and return on IT investment of the world's largest and most information-intensive enterprises.
Category:
Main\Computers\Software\Databases\Data Warehousing
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Cramer, Christopher J. (Popularity: )
(Score: 9.02)
http://pollux.chem.umn.edu/~cramer/
Ab initio and density functional quantum chemistry with a particular focus on biomolecules, solvation phenomena, and atomic partial charges.
Category:
Main\Science\Chemistry\Computational\Research Groups
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Projector Augmented Wave (PAW) (Popularity: )
(Score: 9.01)
http://www.wfu.edu/~natalie/papers/pwpaw/man.html
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 ...
Category:
Main\Computers\Programming\Languages\Fortran
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Lanseria Flight Centre (Popularity: )
(Score: 8.93)
http://www.lfc.co.za/
From ab-initio to airline pilots licenses including turbine ratings, together with all associated ground lectures in South Africa. Hire and fly available.
Category:
Main\Business\Aerospace and Defense\Aeronautical\Aircraft Rental and Instruction
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