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What is ChemAnalytical Workbook?

Easily share and archive live analytical data from any methodology or data type with ACD/ChemAnalytical Workbook, which facilitates the consolidation of all your analytical information into a single platform. This versatile application supports the management of diverse data formats and techniques, enabling the creation of a comprehensive database that includes data from LC/MS, GGC/MS, 1D and 2D NMR, UV, and IR. You can import, process, and interpret analytical data from instruments provided by all leading vendors. Additionally, you have the capability to link structures, interpretation details, and spectra or chromatograms, creating a cohesive dataset. The robust search functionality allows for database queries using various spectral, textual, numerical, and structural parameters. Furthermore, all results related to sample characterization can be generated and reported effortlessly from one centralized interface, enhancing both productivity and data accessibility.

What is BIOVIA TURBOMOLE?

BIOVIA TURBOMOLE is a cutting-edge software suite designed for quantum chemistry, focusing on ab initio electronic structure calculations applicable to diverse systems like molecules, clusters, periodic structures, and solutions. Initially created at the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, it is now overseen by TURBOMOLE GmbH, which has broadened its functionality to encompass a variety of computational techniques, including density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster methods, and GW-Bethe–Salpeter approaches. The software is particularly notable for its accuracy in predicting outcomes related to chemical reactions, spectroscopy, and the simulation of optical devices. Among its standout features are the optimization of reaction pathways, identification of transition states, and the modeling of solvation effects using COSMO-RS. Furthermore, its spectroscopic capabilities span a multitude of methods such as IR, Raman, VCD, UV-Vis, and vibronic spectra, while its optical property simulations are bolstered by advanced techniques for spin-orbit coupling and relativistic all-electron calculations. As a result, BIOVIA TURBOMOLE proves to be an invaluable tool for researchers delving into intricate chemical systems and their underlying properties, paving the way for innovative discoveries in the field of quantum chemistry. With its comprehensive range of features, it continues to be a cornerstone for academics and industry professionals alike.

Media

Media

Integrations Supported

Additional information not provided

Integrations Supported

Additional information not provided

API Availability

API Availability

Pricing Information

Pricing not provided

Pricing Information

Pricing not provided

Supported Platforms

Windows

Supported Platforms

Windows
Mac
Linux

Customer Service / Support

Not specified

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Training Options

Not specified

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Company Facts

Organization Name

ACD/Labs

Date Founded

1994

Company Location

Canada

Company Website

www.acdlabs.com/products/spectrus-platform/chemanalytical-workbook/

Company Facts

Organization Name

Dassault Systèmes

Date Founded

1981

Company Location

France

Company Website

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

Categories and Features

Chemical

Not specified

Categories and Features

Chemical

Not specified

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