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Inorganic Chemistry

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Theoretical and Computational Chemistry

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interaction energies

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4 results in Keywords: interaction energies

Inorganic Chemistry

Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis

Helena W. Qi, Heather Kulik

Version 1 posted 21 January 2019

683

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Physical Chemistry

A Polarizable Valence Electron Density Based Force Field for High-Energy Interactions between Atoms and Molecules

José Romero, Paulo Limão-Vieira, Thana Maihom, Kersti Hermansson, Michael Probst

Version 2 posted 27 March 2024

159

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Theoretical and Computational Chemistry

Levels of symmetry adapted perturbation theory (SAPT). II. Convergence of interaction energy components

Jeffrey Schriber, Daniel Cheney, C. David Sherrill

Version 1 posted 27 April 2023

726

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1

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Theoretical and Computational Chemistry

Multiwavelets Applied to Metal-Ligand Interactions: Energies Free from Basis Set Errors

Anders Brakestad, Peter Wind, Stig Rune Jensen, Luca Frediani, Kathrin Hopmann

Version 1 posted 02 February 2021

360

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