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Quantum chemical modeling of molecules under pressure

Published:2020-03-13 Issue:3 Volume:121 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Stauch Tim¹²³^ORCID

Affiliation:

1. Institute for Physical and Theoretical Chemistry University of Bremen Bremen Germany

2. Bremen Center for Computational Materials Science University of Bremen Bremen Germany

3. MAPEX Center for Materials and Processes University of Bremen Bremen Germany

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26208

Reference64 articles.

1. The Chemical Imagination at Work inVery Tight Places

2. Diamond anvil cell behavior up to 4 Mbar

3. High-Pressure Shock Compression of Solids

4. High-Pressure Elasticity of Iron and Anisotropy of Earth's Inner Core

5. Constraining molecules at the closest approach: chemistry at high pressure

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2. JEDI: A versatile code for strain analysis of molecular and periodic systems under deformation;The Journal of Chemical Physics;2024-04-19

3. Computational high‐pressure chemistry: Ab initio simulations of atoms, molecules, and extended materials in the gigapascal regime;WIREs Computational Molecular Science;2024-03

4. Calculating high-pressure vibrational frequencies analytically with the extended hydrostatic compression force field approach;The Journal of Chemical Physics;2024-02-22

5. Molecular systems in spatial confinement: Variation of linear and nonlinear electrical response of molecules in the bond dissociation processes;Polish Quantum Chemistry from Kołos to Now;2023

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