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How to select active space for multiconfigurational quantum
*Best Practice DFT Protocols for Basic Molecular Computational *
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The Ranked-Orbital Approach to Selecting Active Spaces
*Advances in Methods and Applications of Quantum Systems in *
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How to select the best basis sets to use in quantum chemical
*Figure 1 from CHAPTER 1 Linear-Scaling Methods in Quantum *
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Selecting Quantum-Chemical Methods for Lanthanide-Containing
*In silico environmental chemical science: properties and processes *
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Which of the following is possible for computational chemistry
*Materials selection and process optimisation through quantum *
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How to Select Active Space for Multiconfigurational Quantum
*The simulated phosphorescence spectra of 2T based on the selected *
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A novel procedure for selection of molecular descriptors: QSAR
*Evolution of the research workflow in computational chemistry. The *
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Automatic selection of active orbitals - feature-request - Psi4 – Open
*Accelerating reliable multiscale quantum refinement of protein *
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