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Physical Chemistry

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Theoretical and Computational Chemistry

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Interacting quantum atoms

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3 results in Keywords: Interacting quantum atoms

Physical Chemistry

A Quantum Chemical Topology Picture of Intermolecular Electrostatic Interactions and Charge Penetration Energy

Fernando Jiménez-Grávalos, Dimas Suárez

Version 2 posted 23 June 2021

475

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Theoretical and Computational Chemistry

A protocol for the investigation of the IVR problem: The isomerization of HONO as a case of study

Leonardo José Duarte, Claudio M. Nunes, Rui Fausto, Ataualpa A. C. Braga

Version 3 posted 25 October 2024

144

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Theoretical and Computational Chemistry

Application of quantum chemical topology force field FFLUX to condensed matter simulations: liquid water

Paul Popelier, Ben Symons

Version 1 posted 06 April 2022

239

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