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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
Mar-Kov is a leader in providing cost-effective software solutions to the pharmaceutical, chemical and cosmetics, flavors, fragrance, paints and coatings, as well as food industries. Mar-Kov provides robust traceability solutions to process, batch, or formulation-based manufacturers. This helps businesses automate their daily routines and streamline operations while complying with regulatory requirements such as HACCP, FDA, etc. This solution promotes paperless inventory through the use of barcoding and an electronic batch record system.
API Access
Has API
No
API Access
Has API
No
Integrations
JD Edwards EnterpriseOne
No
QuickBooks Online
No
SAP ERP
No
Shopify
No
WooCommerce
No
Integrations
JD Edwards EnterpriseOne
Yes
QuickBooks Online
Yes
SAP ERP
Yes
Shopify
Yes
WooCommerce
Yes
Pricing Details
No price information available.
Free Trial
No
Free Version
No
Pricing Details
$200/month
Free Trial
Yes
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
No
iPad App
No
Android App
Yes
Windows
Yes
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)
Yes
Online Support
No
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
Mar-Kov Computer Systems
Founded
1981
Country
Canada
Website
www.mar-kov.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
Cannabis
Administrative / HR Management
No
Business Management
Yes
CRM
No
Compliance Tracking
Yes
Cultivation Management
No
Delivery Management
Yes
Dispensary Management
No
Distribution
No
ERP
Yes
For Hemp & CBD
Yes
Inventory Management / Control
Yes
Lab Testing
Yes
Manufacturing
Yes
Payment Processing
No
Point of Sale (POS)
No
Reporting / Analytics
Yes
Retail Management
No
Sales Tracking
Yes
Seed to Sale
No
Supplier Management
Yes
Supply Chain Management
Yes
Toll Processing
Yes
Traceability
Yes
eCommerce / Online Ordering
No
Chemical
Certificates of Analysis
Yes
Chemical Process Simulation
No
Computer-Assisted Structure Elucidation (CASE)
No
ISO Management
Yes
Inventory Management
Yes
Particle Tracking
No
Reporting & Statistics
Yes
Samples Tracking
Yes
Traceability
Yes
Uncertainty Analysis
No
Food Traceability
CRM
No
Order Management
Yes
Product Lifecycle Management
No
Production Management
Yes
Quality Control
Yes
Recall Management
Yes
Recipe Management
Yes
Traceability
Yes
Traceback & Traceforward
Yes
Inventory Control
Allocation
Yes
Barcoding
Yes
Cost Tracking
Yes
Forecasting
Yes
Item Management
Yes
Order Management
Yes
Procurement Management
Yes
Reorder Management
Yes
SKU / UPC Codes
No
Serial Number Tracking
Yes
Supplier Management
Yes
Manufacturing Execution
Document Management
Yes
Forecasting
Yes
Quality Control
Yes
Quote Management
Yes
Resource Management
Yes
Supplier Management
Yes
Supply Chain Management
Yes
Traceability
Yes
