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Average Ratings 0 Ratings

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ease
features
design
support

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Write a Review

Description

BIOVIA TURBOMOLE is an advanced software package for quantum chemistry that specializes in ab initio electronic structure calculations for a variety of systems, including molecules, clusters, periodic structures, and solutions. Originally developed at the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, the package is currently managed by TURBOMOLE GmbH, which has expanded its capabilities to include a wide range of computational methods such as density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter approaches. It stands out for its ability to provide precise predictions related to chemical reactions, spectroscopy, and simulations of optical devices. Key features include optimization of reaction pathways, searches for transition states, and the modeling of solvation effects through COSMO-RS. Additionally, its spectroscopic tools cover various techniques such as IR, Raman, VCD, UV-Vis, and vibronic spectra, while simulations of optical properties are enhanced by sophisticated methods for spin-orbit coupling and relativistic all-electron calculations. This powerful software thus serves as an essential resource for researchers aiming to explore complex chemical systems and their properties.

Description

Since 1999, we have been offering our clients the most comprehensive chemical management solutions available in the market, crafted in partnership with our customers and leading industry professionals. Our cloud-based platform, iChemistry, caters to end users within the chemical management supply chain. This software is designed to assist you in managing environmental, health, and safety performance while ensuring compliance, reducing risks, and enhancing profitability. It enables the creation and distribution of safety sheets, which are vital for identifying potential hazards, averting accidents, and mitigating workplace risks. Additionally, it ensures adherence to regulatory standards such as REACH and GHS, promoting sustainability by encouraging proactive measures to decrease hazardous materials. By boosting efficiency and control, iChemistry allows organizations to allocate more time and resources effectively. Moreover, our integrated SDS service provides access to one of the largest safety data sheet databases in Europe, with all sheets digitized for immediate retrieval of critical information. This ensures that you have the most up-to-date and comprehensive safety information at your fingertips, enhancing workplace safety and regulatory compliance even further.

API Access

Has API No 

API Access

Has API Yes 

Screenshots View All

Screenshots View All

Integrations

No details available.

Integrations

No details available.

Pricing Details

No price information available.
Free Trial No 
Free Version No 

Pricing Details

The pricing is based on the amount of chemicals and features included.
Free Trial No 
Free Version No 

Deployment

Web-Based No 
On-Premises No 
iPhone App No 
iPad App No 
Android App No 
Windows Yes 
Mac Yes 
Linux Yes 
Chromebook No 

Deployment

Web-Based Yes 
On-Premises No 
iPhone App Yes 
iPad App Yes 
Android App No 
Windows No 
Mac No 
Linux No 
Chromebook No 

Customer Support

Business Hours Yes 
Live Rep (24/7) Yes 
Online Support Yes 

Customer Support

Business Hours Yes 
Live Rep (24/7) No 
Online Support Yes 

Types of Training

Training Docs Yes 
Webinars Yes 
Live Training (Online) Yes 
In Person Yes 

Types of Training

Training Docs Yes 
Webinars Yes 
Live Training (Online) Yes 
In Person Yes 

Vendor Details

Company Name

Dassault Systèmes

Founded

1981

Country

France

Website

www.3ds.com/products/biovia/turbomole

Vendor Details

Company Name

Intersolia

Founded

1999

Country

Sweden

Website

intersolia.com/ichemistry/

Product Features

Chemical

Certificates of Analysis No 
Chemical Process Simulation No 
Computer-Assisted Structure Elucidation (CASE) No 
ISO Management No 
Inventory Management No 
Particle Tracking No 
Reporting & Statistics No 
Samples Tracking No 
Traceability No 
Uncertainty Analysis No 

Product Features

Chemical

Certificates of Analysis No 
Chemical Process Simulation No 
Computer-Assisted Structure Elucidation (CASE) No 
ISO Management No 
Inventory Management No 
Particle Tracking No 
Reporting & Statistics No 
Samples Tracking No 
Traceability No 
Uncertainty Analysis No 

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