CRYSTAL (software)
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- Density Functional Calculation of X-Ray Absorption Spectra Within the Core Hole Approximation: an Implementation in Nwchem
- Nwchem: Planewave Density Functional Theory Outline
- Large Scale and Hybrid Computing with CP2K Joost Vandevondele
- Molecular and Crystal Orbital Studies of Organic Crystal Formation
- Psi-K Highlight
- Accurate and Efficient Computation of Optical Absorption Spectra Of
- Basic Introduction of Nwchem Software Background
- Magnetic Couplings in Organic-Inorganic Hybrids
- Predicting Collisioninduced Dissociation Spectra
- Nwchem User Documentation Release
- The Molpro Quantum Chemistry Package
- The CRYSTAL Code, 1976–2020 and Beyond, a Long Story
- Luscus: Molecular Viewer and Editor for MOLCAS Goran Kovaceviˇ C´1* and Valera Veryazov2
- The Computational Design of Two-Dimensional Materials
- Introduction to Nwchem
- Molden 2.0: Quantum Chemistry Meets Proteins
- Tutorial and User's Guide
- Cp2k and TRAVIS (2018)