Arnaldo F. Silva

131 Princess Street
Manchester, ENG M17DN, United Kingdom

Last Updated: 09/26/2026

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Found 12 publications

Towards an atomistic understanding of polymorphism in molecular solids.

Towards an atomistic understanding of polymorphism in molecular solids.

Journal: Physical chemistry chemical physics : PCCP

Published: April 28, 2022

An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation.

An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation.

Journal: Molecules (Basel, Switzerland)

Published: May 26, 2020

A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics.

A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics.

Journal: Journal of computational chemistry

Published: September 28, 2019

Quantum chemical intensity determinations of overlapped gas phase infrared bands.

Quantum chemical intensity determinations of overlapped gas phase infrared bands.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: September 27, 2019

Atomic Partitioning of the MPn (n = 2, 3, 4) Dynamic Electron Correlation Energy by the Interacting Quantum Atoms Method: A Fast and Accurate Electrostatic Potential Integral Approach.

Atomic Partitioning of the MPn (n = 2, 3, 4) Dynamic Electron Correlation Energy by the Interacting Quantum Atoms Method: A Fast and Accurate Electrostatic Potential Integral Approach.

Journal: Journal of computational chemistry

Published: June 01, 2019

Decomposition of Møller-Plesset Energies within the Quantum Theory of Atoms-in-Molecules.

Decomposition of Møller-Plesset Energies within the Quantum Theory of Atoms-in-Molecules.

Journal: The journal of physical chemistry. A

Published: September 13, 2018

Machine Learning of Dynamic Electron Correlation Energies from Topological Atoms.

Machine Learning of Dynamic Electron Correlation Energies from Topological Atoms.

Journal: Journal of chemical theory and computation

Published: December 07, 2017

Process monitoring and evaluation of a continuous pharmaceutical twin-screw granulation and drying process using multivariate data analysis.

Process monitoring and evaluation of a continuous pharmaceutical twin-screw granulation and drying process using multivariate data analysis.

Journal: European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V

Published: November 08, 2017

Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared Intensities.

Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared Intensities.

Journal: The journal of physical chemistry. A

Published: October 03, 2017

The Transferability of Topologically Partitioned Electron Correlation Energies in Water Clusters.

The Transferability of Topologically Partitioned Electron Correlation Energies in Water Clusters.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry

Published: August 10, 2017

Multivariate statistical process control of a continuous pharmaceutical twin-screw granulation and fluid bed drying process.

Multivariate statistical process control of a continuous pharmaceutical twin-screw granulation and fluid bed drying process.

Journal: International journal of pharmaceutics

Published: April 27, 2017

Quantifying Electron Correlation of the Chemical Bond.

Quantifying Electron Correlation of the Chemical Bond.

Journal: The journal of physical chemistry letters

Published: April 13, 2017

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Last Updated: 09/26/2026