Scilab quantum chemistry in Title/Summary

Scilab

Scilab is a mathematical computing program similar to MATLAB. It includes a graphical circuit designer and simulation tool called Xcos - this is similar to Simulink in MATLAB, but with less features. Scilab is an excellent tool for anyone to solve optimization problems. You can download additional toolboxes from the developer site.

• Publisher: Scilab Enterprises S.A.S
• Last updated: August 2nd, 2021

Chameleon SDK Scilab

The Chameleon Software Development Kit (SDK) is the tool that you use to develop on the Chameleon. To start developing you don't even need a Chameleon, as you can still download the SDK and get started. SciLab is a powerful open software tool compatible with Matlab, which makes it easier to develop signal processing algorithms.

• Publisher: chameleon Synth Net

SciLab CAPE-OPEN Unit Operation

The SciLab CAPE-OPEN Unit Operation is a unit operation implementation for which the calculations can be entered in SciLab. To get started with the SciLab CAPE-OPEN unit operation, start your CAPE-OPEN capable simulation environment and insert a SciLab CAPE-OPEN unit operation. Edit a unit operation.

• Publisher: AmsterCHEM
• Home page: www.amsterchem.com
• Last updated: October 6th, 2015

Scilab quantum chemistry in Description

Jmol

Jmol is a Java based application and an applet for displaying 3D chemical information. Features include reading a variety of file types, including PyMOL session files and output from quantum chemistry programs, file writing (including JPG, PNG, PNGJ (PNG+ZIP), and ZIP formats), and animation of multi-frame files and computed normal modes from quantum programs, surfaces, translucency and more.

• Publisher: An OpenScience project
• Last updated: December 25th, 2019

ChemCraft

Chemcraft is a graphical visualization program for quantum chemistry computations. It is capable of rendering 3-dimensional pictures of molecules by atomic coordinates with the possibility to examine or modify any geometrical parameter in the molecule (distance, angle).

• Publisher: Grigoriy Zhurko
• Last updated: October 13th, 2015

wxMacMolPlt

The wxMacMolPlt is an open-source, cross-platform (Mac OS X, Linux and Windows) gui for preparing, submitting and visualizing input and output for the GAMESS quantum chemistry package. Features include a graphical molecule builder, GAMESS input generation, animation of output and visualization of molecules, normal modes, orbitals and other properties.

• Publisher: Brett Bode
• Last updated: December 10th, 2022

TmoleX

TmoleX is an application designed to handle TURBOMOLE calculations and perform quantum chemistry. You can start single and multi-molecule jobs locally or on a remote server. By defining the number of usable CPUs, the program will submit jobs until all allowed CPUs are put to work. Further jobs will be queued to wait for free CPUs.

• Publisher: COSMOlogic GmbH & Co. KG
• Last updated: April 17th, 2016

GAMESS for Microsoft Windows 32-Bit

GAMESS is a General Atomic and Molecular Electronic Structure System written and maintaned by the Gordon research group a Iowa State University. GAMESS is a program for ab initio molecular quantum chemistry. Calculates RHF, UHF, ROHF, GVB, or MCSCF selfconsistent field molecular wavefunctions.

• Publisher: Iowa State University
• Home page: www.msg.chem.iastate.edu
• Last updated: October 13th, 2011

Additional Scilab quantum chemistry selection

IQmol

IQmol is a free open-source molecular editor and visualization package. It offers a wide range of features including a molecular editor, surface generation (orbitals and densities) and animations (vibrational modes and reaction pathways). The program has been integrated with the Q-Chem quantum chemistry package and offers an intuitive environment to set up, run, and analyze Q-Chem calculations.

• Publisher: IQmol.org
• Home page: iqmol.org
• Last updated: August 31st, 2016

Amsterdam Density Functional (ADF) Program

ADF has a 30-year track record as a premium-quality quantum chemistry software package based on Density Functional Theory (DFT). Main features: - the molecular DFT program ADF - the periodic DFT program BAND - the post-ADF COSMO-RS program for thermodynamics of liquids - The ReaxFF program for modeling chemical reactions

• Publisher: Scientific Computing & Modeling
• Home page: www.scm.com
• Last updated: April 29th, 2013

Peachtree Quantum - Accountants' Edition

Sage Peachtree Quantum is the Ultimate, High-Performance Sage Peachtree Accounting Solution that's designed to meet your changing needs with flexible tools and personalized features that help improve internal communications and collaboration; provide better, faster customer service; and keep information secure.

• Publisher: Sage Software, Inc
• Home page: www.peachtree.com
• Last updated: July 3rd, 2010

Chemistry Add-in for Word

The Chemistry Add-in for Word allows you to insert and modify chemical information (labels, formulas, 2-D depictions, etc.) from within Microsoft Office Word. Also, it allows you to store the chemical information and manipulate it in a semantically-rich manner.

• Publisher: Microsoft
• Last updated: August 10th, 2023

HyperChem

This program is a sophisticated molecular modeling environment that is known for its quality, flexibility, and ease of use. Uniting 3D visualization and animation with quantum chemical calculations, molecular mechanics, and dynamics, HyperChem puts more molecular modeling tools at your fingertips than any other Windows program.

• Publisher: Hypercube, Inc.
• Last updated: February 5th, 2012

Virtual Chemistry Lab

This program has all the things needed in a school chemistry laboratory, from the substances to the equipment. It has all the advantages of a real lab and none of its drawbacks. The program can help them to test different reactions and solve different problems. It can be used both at school and at home.

• Publisher: OMEGANET
• Last updated: July 6th, 2008

Quantum GIS

Quantum GIS provides a continously growing number of capabilities provided by core functions and plugins. You can visualize, manage, edit, analyse data, and compose printable maps. QGIS is an official project of the Open Source Geospatial Foundation (OSGeo). It runs on Linux, Unix, Mac OSX, and Windows and supports numerous vector, raster, and database formats and functionalities.

• Publisher: qgis.org
• Home page: qgis.org
• Last updated: November 18th, 2024

Quantum XL

Quantum XL software is an add-in for Excel delivering high-speed Monte Carlo simulation modeling and analysis in Excel. Quantum XL supports many advanced features including Optimization, Custom Distributions, Latitude Plots, Percent Contribution Analysis, and much more.

• Publisher: SigmaZone.com
• Home page: www.sigmazone.com
• Last updated: November 27th, 2009

Chemistry 4D

Chemistry 4-D Draw is a next-generation chemistry program combining the most advanced technologies in structure drawing.The program allows you to create high-quality structures simply by entering molecular names. It assigns systematic names to structure

• Publisher: CBIS - Chemical and Biological Information Systems
• Home page: www.cheminnovation.com
• Last updated: March 19th, 2012

HSC Chemistry

HSC Chemistry 7 contains 22 calculation modules which are connected to 12 databases as appropriate. Most calculation modules operate like independent programs which may have data links with each others. All the calculation modules have their own user interface and manual.

• Publisher: Outotec
• Home page: www.outotec.com
• Last updated: May 22nd, 2012