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Average Ratings 0 Ratings

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ease 0 out of 5 stars
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support 0 out of 5 stars

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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

MolKraft is an online chemistry tool designed for the creation, examination, and documentation of molecular structures. With its 2D editor, users can convert chemical structures into interactive 3D models that include measurements and visual representations of molecular surfaces. The application offers a variety of features such as a comprehensive chemical library, a periodic table, calculated molecular properties, formal charge assessments, stereocenter identification, InChI generation, reaction quantity calculations, equation balancing, and evaluations of atom economy. The free version of MolKraft provides estimates for 1H and 13C NMR shifts using established increment rules, while paid subscriptions unlock advanced features including proprietary models for additional nuclei, on-device IUPAC naming, pKa estimations, molecular orbital analysis, image-to-structure conversion, and support for multi-step reaction pathways. Users can conveniently export their structures and drawings for inclusion in reports and academic publications, while also adhering to specific journal formatting styles. Targeted towards chemistry students, educators, researchers, and professional chemists, MolKraft serves a diverse audience in educational institutions, research organizations, and corporate environments. Moreover, it operates entirely within a web browser, eliminating the need for installation, which enhances its accessibility for users.

API Access

Has API No 

API Access

Has API No 

Screenshots View All

Screenshots View All

Integrations

Microsoft PowerPoint No 
Microsoft Word No 

Integrations

Microsoft PowerPoint Yes 
Microsoft Word Yes 

Pricing Details

No price information available.
Free Trial No 
Free Version No 

Pricing Details

$0
MolKraft offers a free plan and a 14-day trial of every feature. Academic licenses cost $49/year; Professional licenses cost $149/year or $15/month; Lab licenses cost $1,299/year for up to 10 seats; school licenses cost $99/teacher/year; and campus licenses start at $600/year. Prices in India are listed in rupees and are subject to GST. During the private beta, paid prices are suggested, and payments are scheduled to open at public launch.
Free Trial Yes 
Free Version Yes 

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 No 
iPad App No 
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 No 
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 No 
Live Training (Online) No 
In Person No 

Vendor Details

Company Name

Dassault Systèmes

Founded

1981

Country

France

Website

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

Vendor Details

Company Name

Mehra Holdings

Founded

1992

Country

India

Website

molkraft.com

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

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