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Materials Science

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Theoretical and Computational Chemistry

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interaction energy analysis

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2 results in Keywords: interaction energy analysis

Theoretical and Computational Chemistry

Interaction Analyses on SARS-CoV-2 Spike Protein Based on Large-Scale Correlated Fragment Molecular Orbital Calculations

Kazuki Akisawa, Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Kaori Fukuzawa, Yuto Komeiji, Shigenori Tanaka

Version 1 posted 11 September 2020

865

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Materials Science

Strength and Nature of Host-Guest Interactions in Metal-Organic Frameworks from a Quantum-Chemical Perspective

Michelle Ernst, Ganna Gryn'ova

Version 1 posted 05 April 2021

359

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