License: All

Sort by: Relevance

Quantum chemistry in Title/Summary

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
Home page: www.chemcraftprog.com
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
Home page: brettbode.github.io
Last updated: December 10th, 2022

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

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
Home page: jmol.sourceforge.net
Last updated: December 25th, 2019

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
Home page: www.cosmologic.de
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

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

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

Additional Quantum chemistry selection

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

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: June 16th, 2023

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
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
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
Last updated: May 22nd, 2012

Quantum Browser

Quantum Browser is a tabbed, WebKit-based web browser. It will automatically update itself using VBSplash's own autoupdate system. Upon each initialization, Quantum Browser runs a check of its own version number against the version number hosted on the VBSplash's website.

Publisher: VBSplash Applications
Last updated: May 31st, 2014

Quantum Moves

Quantum Moves is a game that allows you to play with real atoms and solve complex problems. The idea of the game is quite simple: every time you play, your mouse movements are simulating the laser beams used in the real quantum lab to move the atoms onto the right pathways. By playing, you help physicists in the epic task of building a real quantum computer.

Publisher: Science at Home
Last updated: July 30th, 2016

Quantum Project Manager

Quantum Project Manager is a program that offers contractors of all sizes to streamline the creation and management of the information necessary for filings, reporting and project management. It gives you the opportunity to reduce costs and improve efficiency.

Publisher: Quantum Software Solutions, Inc.
Home page: www.quantumss.com
Last updated: June 26th, 2014