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Evaluating interaction energy versus electron density relationships to estimate inter and intramolecular H-bonding

Murillo H. Queiroz, Suelen A. Santos, Joel Leitão Nascimento, Bruno S. Sampaio, Tiago Vinicius Alves, Roberto Rivelino

2024Journal of Molecular Graphics and Modelling10 citationsDOI

Topics & Concepts

Intramolecular forceElectronElectron densityEnergy (signal processing)ChemistryComputational chemistryChemical physicsPhysicsStereochemistryQuantum mechanicsCrystallography and molecular interactionsAdvanced Chemical Physics StudiesChemical Thermodynamics and Molecular Structure
Evaluating interaction energy versus electron density relationships to estimate inter and intramolecular H-bonding | Litcius