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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
API Access
Has API
Integrations
JD Edwards EnterpriseOne
QuickBooks Online
SAP ERP
Shopify
WooCommerce
Integrations
JD Edwards EnterpriseOne
QuickBooks Online
SAP ERP
Shopify
WooCommerce
Pricing Details
No price information available.
Free Trial
Free Version
Pricing Details
$200/month
Free Trial
Free Version
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
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
Chemical Process Simulation
Computer-Assisted Structure Elucidation (CASE)
ISO Management
Inventory Management
Particle Tracking
Reporting & Statistics
Samples Tracking
Traceability
Uncertainty Analysis
Product Features
Cannabis
Administrative / HR Management
Business Management
CRM
Compliance Tracking
Cultivation Management
Delivery Management
Dispensary Management
Distribution
ERP
For Hemp & CBD
Inventory Management / Control
Lab Testing
Manufacturing
Payment Processing
Point of Sale (POS)
Reporting / Analytics
Retail Management
Sales Tracking
Seed to Sale
Supplier Management
Supply Chain Management
Toll Processing
Traceability
eCommerce / Online Ordering
Chemical
Certificates of Analysis
Chemical Process Simulation
Computer-Assisted Structure Elucidation (CASE)
ISO Management
Inventory Management
Particle Tracking
Reporting & Statistics
Samples Tracking
Traceability
Uncertainty Analysis
Food Traceability
CRM
Order Management
Product Lifecycle Management
Production Management
Quality Control
Recall Management
Recipe Management
Traceability
Traceback & Traceforward
Inventory Control
Allocation
Barcoding
Cost Tracking
Forecasting
Item Management
Order Management
Procurement Management
Reorder Management
SKU / UPC Codes
Serial Number Tracking
Supplier Management
Manufacturing Execution
Document Management
Forecasting
Quality Control
Quote Management
Resource Management
Supplier Management
Supply Chain Management
Traceability
