Solvent effect on conformational equilibria. Solvation energy as a function of solute position and orientation within a cavity in a dielectric medium
Само за регистроване кориснике
1985
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
The reaction-field theory based on dipole and quadrupole interactions has been generalized, yielding an expression for the energy as a function of point dipole and quadrupole position and orientation within a spherical cavity in a dielectric medium. The effect of displacement of molecular dipole and quadrupole, from the centre of the solute cavity, on the conformational free energy in solution has been investigated for some halogenocyclohexanes, cyclohexanones, and ethers.
Кључне речи:
Solvent effects / dielectric medium / dipole / quadrupole / energy / solvation / conformational free energy / halogenocyclohexanes / cyclohexanones / ethersИзвор:
Journal of the Chemical Society, Perkin Transactions 2, 1985, 5, 625-631Издавач:
- Royal Society of Chemistry
Финансирање / пројекти:
- The Research Fund of the Republic of Serbia
Институција/група
IHTMTY - JOUR AU - Došen-Mićović, Ljiljana AU - Žigman, Vida I. PY - 1985 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/4502 AB - The reaction-field theory based on dipole and quadrupole interactions has been generalized, yielding an expression for the energy as a function of point dipole and quadrupole position and orientation within a spherical cavity in a dielectric medium. The effect of displacement of molecular dipole and quadrupole, from the centre of the solute cavity, on the conformational free energy in solution has been investigated for some halogenocyclohexanes, cyclohexanones, and ethers. PB - Royal Society of Chemistry T2 - Journal of the Chemical Society, Perkin Transactions 2 T1 - Solvent effect on conformational equilibria. Solvation energy as a function of solute position and orientation within a cavity in a dielectric medium IS - 5 SP - 625 EP - 631 DO - 10.1039/P29850000625 ER -
@article{ author = "Došen-Mićović, Ljiljana and Žigman, Vida I.", year = "1985", abstract = "The reaction-field theory based on dipole and quadrupole interactions has been generalized, yielding an expression for the energy as a function of point dipole and quadrupole position and orientation within a spherical cavity in a dielectric medium. The effect of displacement of molecular dipole and quadrupole, from the centre of the solute cavity, on the conformational free energy in solution has been investigated for some halogenocyclohexanes, cyclohexanones, and ethers.", publisher = "Royal Society of Chemistry", journal = "Journal of the Chemical Society, Perkin Transactions 2", title = "Solvent effect on conformational equilibria. Solvation energy as a function of solute position and orientation within a cavity in a dielectric medium", number = "5", pages = "625-631", doi = "10.1039/P29850000625" }
Došen-Mićović, L.,& Žigman, V. I.. (1985). Solvent effect on conformational equilibria. Solvation energy as a function of solute position and orientation within a cavity in a dielectric medium. in Journal of the Chemical Society, Perkin Transactions 2 Royal Society of Chemistry.(5), 625-631. https://doi.org/10.1039/P29850000625
Došen-Mićović L, Žigman VI. Solvent effect on conformational equilibria. Solvation energy as a function of solute position and orientation within a cavity in a dielectric medium. in Journal of the Chemical Society, Perkin Transactions 2. 1985;(5):625-631. doi:10.1039/P29850000625 .
Došen-Mićović, Ljiljana, Žigman, Vida I., "Solvent effect on conformational equilibria. Solvation energy as a function of solute position and orientation within a cavity in a dielectric medium" in Journal of the Chemical Society, Perkin Transactions 2, no. 5 (1985):625-631, https://doi.org/10.1039/P29850000625 . .