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Giesen, David J., Chambers, Candee C., Cramer, Christopher J., Truhlar, Donald G. (1997) Solvation Model for Chloroform Based on Class IV Atomic Charges. The Journal of Physical Chemistry B, 101 (11). 2061-2069 doi:10.1021/jp963080v

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Reference TypeJournal (article/letter/editorial)
TitleSolvation Model for Chloroform Based on Class IV Atomic Charges
JournalThe Journal of Physical Chemistry B
AuthorsGiesen, David J.Author
Chambers, Candee C.Author
Cramer, Christopher J.Author
Truhlar, Donald G.Author
Year1997 (March)Volume101
Issue11
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp963080vSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID3847002Long-form Identifiermindat:1:5:3847002:0
GUID0
Full ReferenceGiesen, David J., Chambers, Candee C., Cramer, Christopher J., Truhlar, Donald G. (1997) Solvation Model for Chloroform Based on Class IV Atomic Charges. The Journal of Physical Chemistry B, 101 (11). 2061-2069 doi:10.1021/jp963080v
Plain TextGiesen, David J., Chambers, Candee C., Cramer, Christopher J., Truhlar, Donald G. (1997) Solvation Model for Chloroform Based on Class IV Atomic Charges. The Journal of Physical Chemistry B, 101 (11). 2061-2069 doi:10.1021/jp963080v
In(1997, March) The Journal of Physical Chemistry B Vol. 101 (11) American Chemical Society (ACS)

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Chambers, Candee C., Hawkins, Gregory D., Cramer, Christopher J., Truhlar, Donald G. (1996) Model for Aqueous Solvation Based on Class IV Atomic Charges and First Solvation Shell Effects. The Journal of Physical Chemistry, 100 (40). 16385-16398 doi:10.1021/jp9610776
Giesen, David J., Chambers, Candee C., Cramer, Christopher J., Truhlar, Donald G. (1997) What Controls Partitioning of the Nucleic Acid Bases between Chloroform and Water?. The Journal of Physical Chemistry B, 101 (25). 5084-5088 doi:10.1021/jp971229c
Li, Jiabo, Zhu, Tianhai, Cramer, Christopher J., Truhlar, Donald G. (2000) A Universal Solvation Model Based on Class IV Charges and the Intermediate Neglect of Differential Overlap for the Spectroscopy Molecular Orbital Method. The Journal of Physical Chemistry A, 104 (11). 2178-2182 doi:10.1021/jp991858h
Giesen, David J., Cramer, Christopher J., Truhlar, Donald G. (1995) A Semiempirical Quantum Mechanical Solvation Model for Solvation Free Energies in All Alkane Solvents. The Journal of Physical Chemistry, 99 (18). 7137-7146 doi:10.1021/j100018a055
Giesen, David J., Cramer, Christopher J., Truhlar, Donald G. (1994) Entropic Contributions to Free Energies of Solvation. The Journal of Physical Chemistry, 98 (15). 4141-4147 doi:10.1021/j100066a038
Hawkins, Gregory D., Cramer, Christopher J., Truhlar, Donald G. (1997) Parametrized Model for Aqueous Free Energies of Solvation Using Geometry-Dependent Atomic Surface Tensions with Implicit Electrostatics. The Journal of Physical Chemistry B, 101 (36). 7147-7157 doi:10.1021/jp971035x
Li, Jiabo, Zhu, Tianhai, Cramer, Christopher J., Truhlar, Donald G. (1998) New Class IV Charge Model for Extracting Accurate Partial Charges from Wave Functions. The Journal of Physical Chemistry A, 102 (10). 1820-1831 doi:10.1021/jp972682r
Giesen, David J., Storer, Joey W., Cramer, Christopher J., Truhlar, Donald G. (1995) General Semiempirical Quantum Mechanical Solvation Model for Nonpolar Solvation Free Energies. n-Hexadecane. Journal Of The American Chemical Society, 117 (3) 1057-1068 doi:10.1021/ja00108a023
Zhu, Tianhai, Li, Jiabo, Hawkins, Gregory D., Cramer, Christopher J., Truhlar, Donald G. (1998) Density functional solvation model based on CM2 atomic charges. The Journal of Chemical Physics, 109 (20). 9117-9133 doi:10.1063/1.476521
Chambers, Candee C., Archibong, Edet F., Jabalameli, Ali, Sullivan, Richard H., Giesen, David J., Cramer, Christopher J., Truhlar, Donald G. (1998) Quantum mechanical and 13C dynamic NMR study of 1,3-dimethylthiourea conformational isomerizations. Journal of Molecular Structure: THEOCHEM, 425. 61-68 doi:10.1016/s0166-1280(97)00137-1
Hawkins, Gregory D., Cramer, Christopher J., Truhlar, Donald G. (1996) Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium. The Journal of Physical Chemistry, 100 (51). 19824-19839 doi:10.1021/jp961710n
 
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