Intermolecular interactions in solution: elucidating the influence of the solvent.
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Summary
Results indicate a significant increase in stabilization resulting from electrostatic interactions as a result of the cooperative interactions between interacting subsystems and solvent molecules.
- Type
- article
- Published
- 2004-02-10
- Cited by
- 35
- References
- 73
- OpenAlex
- https://openalex.org/W2088443571
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:41345562
Keywords
Intermolecular force, Intermolecular interaction, Interaction energy, Polarizability, Solvent
References
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- Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
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- Hydration shell structure of the calcium ion from simulations with ab initio effective pair potentials
- AN EFFICIENT PROCEDURE FOR DECOMPOSITION OF THE SCF INTERACTION ENERGY INTO COMPONENTS WITH REDUCED BASIS SET DEPENDENCE
- Free energies of solvation for peptides and polypeptides using SCRF methods
- Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems.
- Proton transfer between water molecules. A theoretical study of solvent effects using the continuum and the discrete-continuum models
- Theoretical Study of the Microsolvation of the Bromide Anion in Water, Methanol, and Acetonitrile: Ion−Solvent vs Solvent−Solvent Interactions
- Theoretical treatment of solvent effects on electronic spectroscopy
- An effective fragment method for modeling solvent effects in quantum mechanical calculations
- Study of Small Water Clusters Using the Effective Fragment Potential Model
- A theoretical study of hydrogen-bonded complexes in solution: BSSE and decomposition of interaction energy
- First-order perturbation treatment of the short-range repulsion in a system of many closed-shell atoms or molecules
- Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many‐body interactions
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- The micro-solvation of Na+: theoretical study of bonding characteristics in weakly bonded ArnNa+ (n=1–8) clusters
- The nature of interactions in nicotinamide crystal.
- On the influence of microsolvation by argon atoms on the electron affinity properties of water dimer.
- Towards first-principles based modeling of poly-3-alkylthiophenes: The nature of interactions in 2,2′-bithiophene dimer
- On the importance of electrostatics in stabilization of stacked guanine–adenine complexes appearing in B-DNA crystals
- Physical origins of the stability of aromatic amino acid core ring‐polycyclic hydrocarbon complexes: A post–Hartree–fock and density functional study
- The theoretical studies of interactions of the OH−(H2O)n clusters evolution toward the hydroxide anion hydration
- On the influence of non-additive interactions on the optical properties of the selected subsystems of crystalline urea
- Theoretical insights into the nature of intermolecular interactions in cytosine dimer.
- On the influence of confinement effects on electric properties: An ab initio study
- Free energy decomposition analysis of bonding and nonbonding interactions in solution.
- Theoretical Study of Intermolecular Chain Transfer to Polymer Reactions of Alkyl Acrylates
- A theoretical study of the intramolecular interaction between proximal atoms in planar conformations of biphenyl and related systems
- A quantum-chemical study of the binding ability of βXaaHisGlyHis towards copper(II) ion
- Computational Studies of Darunavir into HIV-1 Protease and DMPC Bilayer: Necessary Conditions for Effective Binding and the Role of the Flaps
- Vibrational solvatochromism. II. A first-principle theory of solvation-induced vibrational frequency shift based on effective fragment potential method.
- Resonance-assisted hydrogen bonds revisited. Resonance stabilization vs. charge delocalization.
- How does modification of adenine by hydroxyl radical influence the stability and the nature of stacking interactions in adenine-cytosine complex?
- The role of basis set superposition error in water addition reactions to Ln(III) cations
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