Jul 262020
 

Download COSMOlogic TURBOMOLE 2016 v7.1 x64 full license forever

Link download COSMOlogic TURBOMOLE 2016 v7.1 win64 full crack

COSMOlogic TURBOMOLE 2016 v7.1 full

COSMOlogic TURBOMOLE 2016 v7.1 full

Description: TURBOMOLE is a highly optimized software package for simulating large-scale quantum chemistry of periodic molecules, clusters and solids. TURBOMOLE software uses Gaussian base set and specializes in electronic structure prediction method such as: density function theory, Müller second order Plesset theory. These methods are combined with highly efficient and stable numerical algorithms such as direct integral and Laplace transform methods, identity clarity, natural orbital pairs and fast multipolarity. TURBOMOLE software is one of the fastest and most stable codes available for quantum chemistry. Unlike many other applications, the main focus of TURBOMOLE development is not to implement all methods and functions, but to provide a fast and stable code capable of treating industrial molecules in a reasonable amount of time and memory. .
Features and capabilities of TURBOMOLE:
All standards and methods for basic mode calculations Hartree-Fock, DFT, MP2, CCSD (T)
Aroused state barriers at different levels of fRPA, TDDFT, CIS (D), CC2, ADC (2)
Geometric optimization and molecular dynamics calculations
Different properties and spectra of IR, UV / Vis, Raman, CD
Fast and reliable code, RI-like estimates used to speed up calculations without introducing uncontrollable or unknown errors
Development of COSMOtools for specific applications such as Michelle partitioning or 3D-alignment and QSAR
Equal version for all types of jobs
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