Interacting Quantum Atoms Approach and Electrostatic Solvation Energy: Assessing Atomic and Group Solvation Contributions

ChemPhysChem - Germany
doi 10.1002/cphc.201800733
Full Text
Abstract

Available in full text

Date
Authors
Publisher

Wiley

Related search

Contributions From Dielectric Inhomogeneity to the Free Energy of Ionic Solvation

Australian Journal of Chemistry
Chemistry
1980English

Minimization of Electrostatic Free Energy and the Poisson–Boltzmann Equation for Molecular Solvation With Implicit Solvent

SIAM Journal on Mathematical Analysis
Computational MathematicsApplied MathematicsAnalysis
2009English

Quantum Control Experiment Reveals Solvation-Induced Decoherence

Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
2009English

Fast Calculations of Electrostatic Solvation Free Energy From Reconstructed Solvent Density Using Proximal Radial Distribution Functions

Journal of Physical Chemistry Letters
Materials ScienceNanotechnologyPhysicalTheoretical ChemistryNanoscience
2011English

Ion Solvation Spectra: Free Energy Analysis of Solvation Structures of Multivalent Cations in Aprotic Solvents

English

Ions and Solvation at Biointerfaces

Biointerphases
Materials ScienceAstronomyGeneticsMolecular BiologyBiochemistryBiomaterialsChemistryPhysics
2016English

Scaling Atomic Partial Charges of Carbonate Solvents for Lithium Ion Solvation and Diffusion

English

Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2019English

Probing Strongly Interacting Atomic Gases With Energetic Atoms

Physical Review A
2012English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy