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Book
Subject (ZB): ...quantum chemistry...
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Subject (ZB): ...Quantum chemistry-Computer programs....

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Subject (ZB): ...quantum chemistry...
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Diem, Max
2021
...CHN - Quantum chemistry...
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Book
Diem, Max
2021
...CHN - Quantum chemistry...
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Perlt, Eva
2021
Table of Contents: ...An Introduction and Overview of Basis Sets for Molecular and Solid-state Calculations -- Slater-type Orbitals -- Local Orbitals in Quantum Chemistry -- An introduction to discretization error analysis for computational chemists -- Basis Sets...

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Table of Contents: ... -- Technology, Molecular Representations, and Student Understanding in Chemistry -- An Educational Software for Supporting Students’ Learning of IR Spectral Interpretation -- Exploring Chemistry Problems with Computational Quantum Chemistry Tools in the Undergraduate...

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Table of Contents: ... Perturbation Theory Approach to computing β-Decay Parameters (Olga Yu. Khetselius, Valentin B. Ternovsky, Yulia V. Dubrovskaya, and Andrei A. Svinarenko) -- Relativistic Quantum Chemistry and Spectroscopy of Some Kaonic Atoms: Hyperfine and Strong-Interaction...

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Subject (ZB): ...quantum chemistry...
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Table of Contents: ...Theoretical Chemistry for Advanced Nanomaterials: Computational and Experimental Approaches -- Quantum Chemistry in Perovskite Fluoride and Hydride: Nanoscale Hydride Ion Conduction -- Local dielectric constant density analysis of high-k dielectric...

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Table of Contents: ...Part 1: Exotic Atomic Systems -- Chapter 1. Advanced Relativistic Energy Approach in the Spectroscopy of Auto-ionization States of Multi-electron Atomic Systems (Alexander V. Glushkov ) -- Chapter 2. Relativistic Quantum Chemistry and Spectroscopy...

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