AutoChrom

AutoChrom

ACD/Labs
BIOVIA TURBOMOLE

BIOVIA TURBOMOLE

Dassault Systèmes
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About

Method development software for the chromatography expert. AutoChrom helps experts develop chromatographic separations using QbD principles. It uses a workflow-based structure to streamline and track a project.

About

BIOVIA TURBOMOLE is a high-performance quantum chemistry software package designed for ab initio electronic structure calculations across molecules, clusters, periodic systems, and solutions. Developed initially by the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, and now maintained by TURBOMOLE GmbH, it offers a comprehensive suite of computational methods, including density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter methods. It excels in delivering accurate predictions for chemical reactions, spectroscopy, and optical device simulations, with features like reaction path optimizations, transition state searches, and solvation effects modeled using COSMO-RS. Spectroscopic capabilities encompass IR, Raman, VCD, UV-Vis, and vibronic spectra, while optical property simulations benefit from advanced spin-orbit coupling methods and relativistic all-electron calculations.

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Audience

Analytical Chemistry

Audience

Computational chemists and materials scientists seeking a tool for accurate and efficient quantum chemical simulations, enabling in-depth analysis of molecular structures, reactions, and properties

Support

Phone Support
24/7 Live Support
Online

Support

Phone Support
24/7 Live Support
Online

API

Offers API

API

Offers API

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version
Free Trial

Pricing

No information available.
Free Version
Free Trial

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

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Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation
Webinars
Live Online
In Person

Training

Documentation
Webinars
Live Online
In Person

Company Information

ACD/Labs
Founded: 1994
Canada
www.acdlabs.com/products/spectrus-platform/autochrom/

Company Information

Dassault Systèmes
Founded: 1981
France
www.3ds.com/products/biovia/turbomole

Alternatives

Alternatives

BIOVIA COSMO-RS

BIOVIA COSMO-RS

Dassault Systèmes
BIOVIA COSMOtherm

BIOVIA COSMOtherm

Dassault Systèmes
CADSIM Plus

CADSIM Plus

Aurel Systems
InQuanto

InQuanto

Quantinuum
Khimera

Khimera

Kintech Laboratory
BIOVIA TURBOMOLE

BIOVIA TURBOMOLE

Dassault Systèmes

Categories

Categories

Integrations

No info available.

Integrations

No info available.
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