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Sitkoff, Doree, Ben-Tal, Nir, Honig, Barry (1996) Calculation of Alkane to Water Solvation Free Energies Using Continuum Solvent Models. The Journal of Physical Chemistry, 100 (7). 2744-2752 doi:10.1021/jp952986i

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Reference TypeJournal (article/letter/editorial)
TitleCalculation of Alkane to Water Solvation Free Energies Using Continuum Solvent Models
JournalThe Journal of Physical Chemistry
AuthorsSitkoff, DoreeAuthor
Ben-Tal, NirAuthor
Honig, BarryAuthor
Year1996 (January)Volume100
Issue7
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp952986iSearch in ResearchGate
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Mindat Ref. ID8045338Long-form Identifiermindat:1:5:8045338:7
GUID0
Full ReferenceSitkoff, Doree, Ben-Tal, Nir, Honig, Barry (1996) Calculation of Alkane to Water Solvation Free Energies Using Continuum Solvent Models. The Journal of Physical Chemistry, 100 (7). 2744-2752 doi:10.1021/jp952986i
Plain TextSitkoff, Doree, Ben-Tal, Nir, Honig, Barry (1996) Calculation of Alkane to Water Solvation Free Energies Using Continuum Solvent Models. The Journal of Physical Chemistry, 100 (7). 2744-2752 doi:10.1021/jp952986i
In(1996, January) The Journal of Physical Chemistry Vol. 100 (7) American Chemical Society (ACS)

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Sitkoff, Doree, Sharp, Kim A., Honig, Barry (1994) Accurate Calculation of Hydration Free Energies Using Macroscopic Solvent Models. The Journal of Physical Chemistry, 98 (7). 1978-1988 doi:10.1021/j100058a043
Ben-Tal, Nir, Sitkoff, Doree, Topol, Igor A., Yang, An-Suei, Burt, Stanley K., Honig, Barry (1997) Free Energy of Amide Hydrogen Bond Formation in Vacuum, in Water, and in Liquid Alkane Solution. The Journal of Physical Chemistry B, 101 (3). 450-457 doi:10.1021/jp961825r
Marten, Bryan, Kim, Kyungsun, Cortis, Christian, Friesner, Richard A., Murphy, Robert B., Ringnalda, Murco N., Sitkoff, Doree, Honig, Barry (1996) New Model for Calculation of Solvation Free Energies:  Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects. The Journal of Physical Chemistry, 100 (28). 11775-11788 doi:10.1021/jp953087x
Tannor, David J., Marten, Bryan, Murphy, Robert, Friesner, Richard A., Sitkoff, Doree, Nicholls, Anthony, Honig, Barry, Ringnalda, Murco, Goddard, William A. (1994) Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory. Journal Of The American Chemical Society, 116 (26) 11875-11882 doi:10.1021/ja00105a030
Sharp, Kim A., Kumar, Sanat, Rossky, Peter J., Friedman, Richard A., Honig, Barry (1996) Size Dependence of Transfer Free Energies. 2. Hard Sphere Models. The Journal of Physical Chemistry, 100 (33). 14166-14177 doi:10.1021/jp960668t
Bryantsev, Vyacheslav S., Diallo, Mamadou S., Goddard III, William A. (2008) Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models. The Journal of Physical Chemistry B, 112 (32). 9709-9719 doi:10.1021/jp802665d
Misin, Maksim, Palmer, David S., Fedorov, Maxim V. (2016) Predicting Solvation Free Energies Using Parameter-Free Solvent Models. The Journal of Physical Chemistry B, 120 (25). 5724-5731 doi:10.1021/acs.jpcb.6b05352
Sharp, Kim, Jean-Charles, Arald, Honig, Barry (1992) A local dielectric constant model for solvation free energies which accounts for solute polarizability. The Journal of Physical Chemistry, 96 (9). 3822-3828 doi:10.1021/j100188a047
Jean-Charles, Arald, Nicholls, Anthony, Sharp, Kim, Honig, Barry, Tempczyk, Anna, Hendrickson, Thomas F., Still, W. Clark (1991) Electrostatic contributions to solvation energies: comparison of free energy perturbation and continuum calculations. Journal Of The American Chemical Society, 113 (4) 1454-1455 doi:10.1021/ja00004a079
Edinger, Shlomit R., Cortis, Christian, Shenkin, Peter S., Friesner, Richard A. (1997) Solvation Free Energies of Peptides:  Comparison of Approximate Continuum Solvation Models with Accurate Solution of the Poisson−Boltzmann Equation. The Journal of Physical Chemistry B, 101 (7). 1190-1197 doi:10.1021/jp962156k
Dejaegere, A., Karplus, M. (1996) Analysis of Coupling Schemes in Free Energy Simulations:  A Unified Description of Nonbonded Contributions to Solvation Free Energies. The Journal of Physical Chemistry, 100 (26). 11148-11164 doi:10.1021/jp952332+
 
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