COSMOlogic TURBOMOLE Software 2016 may be a computational chemical engineering software initially. TURBOMOLE software 2016 is in a position to perform structural optimization calculations, a search of transition modes, molecular dynamics, IR spectrum, and UV / Vis spectrum.
TURBOMOLE Software 2016 Description
During TURBOMOLE 2016, there are Hartree-Fock, DFT, MP2, and CCSD calculations. Unlike much other software, this software is the main focus within the development of TURBOMOLE to research all methods and implementation functions and during a position is ready”> is in a position to treat industrial molecules in a reasonable time and memory required.
All standards and methods for calculations and state excited state at different levels of geometric optimization and molecular dynamics calculations of various properties and spectrum IR, UV / Vis, Raman, CD Fast, and reliable codes, RI estimation to hurry up calculations without introducing uncontrollable or unknown errors.
Features Of TURBOMOLE Software 2016
- All standards and methods for Hartree-Fock, DFT, MP2, CCSD (T) base model calculations.
- Aroused state barriers at different levels of RPA, TDDFT, CIS (D), CC2, and ADC.
- Geometric optimization and molecular dynamics calculations.
- Different properties and spectra of IR, UV / Vis, Raman, CD.
- Fast and reliable code, RI-like estimates want to speed up calculations without introducing uncontrollable or unknown errors.
- Development of COSMO tools for specific applications like Michelle partitioning or 3D alignment and QSAR.
- Equal version for all kinds of jobs.
File information
- Name: COSMOlogic_TURBOMOLE_2016_v7.1.rar
- File Size: 543 MB
- After Extract: 588 MB
- Publisher: COSMOlogic
- File Type:Â Rar File
- Update Date: Feb 28, 2023
- Languages: English
Password for file: “123“
