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6 results in Keywords: Water clusters

DFT Performance in the IQA Energy Partition of Small Water Clusters

Fernando Jiménez-Grávalos, José Luis Casals-Sainz, Evelio Francisco, Tomás Rocha-Rinza, Angel Martín Pendás, Jose Manuel Guevara-Vela

Version 1 posted 12 August 2019

600

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Theoretical and Computational Chemistry

Working Paper

The Density-Based Many-Body Expansion as an Efficient and Accurate Quantum-Chemical Fragmentation Method: Application to Water Clusters

Daniel Schmitt-Monreal, Christoph R. Jacob

Version 2 posted 01 June 2021

616

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Earth, Space, and Environmental Chemistry

Working Paper

Influence of Solar Activity on Water Clusters. Annual Variations 2015-2019

Igor Shevchenko

Version 1 posted 03 June 2020

390

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Theoretical and Computational Chemistry

Working Paper

Computational Study of Hydrogen Bond Interactions in Water Cluster-Organic Molecule Complexes

Eduardo Romero-Montalvo, Gino A. DiLabio

Version 1 posted 16 February 2021

700

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Physical Chemistry

Working Paper

Competition Between Water-Water Hydrogen bonds and Water-pi Bonds in Pyrene-Water Cluster Anions

Heinrich Salzmann, Anne Rasmussen, Joel Eaves, J. Mathias WEBER

Version 1 posted 17 January 2024

221

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Theoretical and Computational Chemistry

Working Paper

Coupled-Cluster Density-Based Many-Body Expansion

Kevin Focke, Christoph Jacob

Version 2 posted 26 September 2023

323

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6 results in Water clusters in Keywords: Water clusters

DFT Performance in the IQA Energy Partition of Small Water Clusters

The Density-Based Many-Body Expansion as an Efficient and Accurate Quantum-Chemical Fragmentation Method: Application to Water Clusters

Influence of Solar Activity on Water Clusters. Annual Variations 2015-2019

Computational Study of Hydrogen Bond Interactions in Water Cluster-Organic Molecule Complexes

Competition Between Water-Water Hydrogen bonds and Water-pi Bonds in Pyrene-Water Cluster Anions

Coupled-Cluster Density-Based Many-Body Expansion

6 results in Keywords: Water clusters