TURBOMOLE package
molecules: structure optimization, visualization of orbitalsand charge densities, ionization energies & electron affinities, molecular vibrations, simulation of IR spectra, etc.
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Introduction into calculations on molecules with TURBOMOLE package
Abderrahmane REGGAD
September 23, 2021
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About me
Hello, my name is Dr Abderrahmane Reggad. I'm a 51 year old and I am a researcher in materials' sciences.
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Categories
- Ab initio Calulations 11
- Analytical Calculations 3
- Articles 27
- Atomic and Molecular Orbitals 1
- Atomic Calculations 88
- Atomic Codes 21
- Atomic Physics 22
- Atoms 11
- Avogadro Program 1
- Basis Functions and Basis Sets 12
- Books 25
- Codes 5
- Correlation Effect 5
- Courses 1
- Courses Online 1
- Data 1
- Density Functional Theory 2
- DFT Calculations 1
- DFT Theory 1
- DIRAC Code 1
- DMol Code 1
- Electron Affinity 1
- Exchange and Correlation Functionals 1
- Exchange Effect 2
- Exercises 1
- Experimental Works 3
- FDA Code 2
- FHI-aim Code 2
- Fortran Codes 1
- Gauss View Interface 1
- Gaussian Code 18
- Grafical Interfaces 1
- Hartree 5
- Hartree-Fock Calculations 24
- Hartree-Fock Theory 15
- Helium Atom 10
- Herman 1
- Hermsk Code 5
- Hydrogen Atom 4
- Hylleraas 1
- Installation 1
- Interfaced Programs 1
- Lectures 4
- Many-Body Perturbation Ttheory 1
- Molecular Calculations 14
- Molecular Physics 1
- Molecules 2
- MOLPRO Code 1
- Most Important References 1
- Numeral Treatment 3
- Phonon Calculations 1
- Potential Model 1
- Presentation 3
- Quantum Chemistry 7
- Quantum Mechanics 4
- Radii Calculations 1
- Researchgate Questions 1
- SCF procedure 1
- SCF THEORY 1
- Sites 1
- Skillman 1
- Spectroscopic Properties 1
- Turbomole Code 2
- Tutorials 23
- Userguide 1
- Vasp Code 2
- Videos 3
- Wave Function Expressions 1
Electronic Calculations
3/Electronic Calculations/post-list
Structural Calculations
3/Structural Calculations/post-list
Magnetic Calculations
3/Magnetic Calculations/post-list
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