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Meng, Elaine C., Caldwell, James W., Kollman, Peter A. (1996) Investigating the Anomalous Solvation Free Energies of Amines with a Polarizable Potential. The Journal of Physical Chemistry, 100 (6). 2367-2371 doi:10.1021/jp952463a

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Reference TypeJournal (article/letter/editorial)
TitleInvestigating the Anomalous Solvation Free Energies of Amines with a Polarizable Potential
JournalThe Journal of Physical Chemistry
AuthorsMeng, Elaine C.Author
Caldwell, James W.Author
Kollman, Peter A.Author
Year1996 (January)Volume100
Issue6
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp952463aSearch in ResearchGate
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Mindat Ref. ID8045246Long-form Identifiermindat:1:5:8045246:7
GUID0
Full ReferenceMeng, Elaine C., Caldwell, James W., Kollman, Peter A. (1996) Investigating the Anomalous Solvation Free Energies of Amines with a Polarizable Potential. The Journal of Physical Chemistry, 100 (6). 2367-2371 doi:10.1021/jp952463a
Plain TextMeng, Elaine C., Caldwell, James W., Kollman, Peter A. (1996) Investigating the Anomalous Solvation Free Energies of Amines with a Polarizable Potential. The Journal of Physical Chemistry, 100 (6). 2367-2371 doi:10.1021/jp952463a
In(1996, January) The Journal of Physical Chemistry Vol. 100 (6) American Chemical Society (ACS)

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Meng, Elaine C., Cieplak, Piotr, Caldwell, James W., Kollman, Peter A. (1994) Accurate Solvation Free Energies of Acetate and Methylammonium Ions Calculated with a Polarizable Water Model. Journal Of The American Chemical Society, 116 (26) 12061-12062 doi:10.1021/ja00105a060
Miller, Jennifer L., Kollman, Peter A. (1996) Solvation Free Energies of the Nucleic Acid Bases. The Journal of Physical Chemistry, 100 (20). 8587-8594 doi:10.1021/jp9605358
Meng, Elaine C., Kollman, Peter A. (1996) Molecular Dynamics Studies of the Properties of Water around Simple Organic Solutes. The Journal of Physical Chemistry, 100 (27). 11460-11470 doi:10.1021/jp9536209
Spector, Tami I., Kollman, Peter A. (1998) Investigation of the Anomalous Solvation Free Energies of Amides and Amines:  FEP Calculations in Cyclohexane and PS-GVB Calculations on Amide−Water Complexes. The Journal of Physical Chemistry B, 102 (20). 4004-4010 doi:10.1021/jp972593e
Dang, Liem X., Rice, Julia E., Caldwell, James, Kollman, Peter A. (1991) Ion solvation in polarizable water: molecular dynamics simulations. Journal Of The American Chemical Society, 113 (7) 2481-2486 doi:10.1021/ja00007a021
Morgantini, Pierre-Yves, Kollman, Peter A. (1995) Solvation Free Energies of Amides and Amines: Disagreement between Free Energy Calculations and Experiment. Journal Of The American Chemical Society, 117 (22) 6057-6063 doi:10.1021/ja00127a019
Fox, Thomas, Kollman, Peter A. (1996) Calculation of Ionization Potentials and C−H Bond Dissociation Energies of Toluene Derivatives. The Journal of Physical Chemistry, 100 (8). 2950-2956 doi:10.1021/jp952046y
Sun, Yaxiong, Caldwell, James W., Kollman, Peter A. (1995) Molecular Dynamics and Free Energy Perturbation Study of Spherand Complexation with Metal Ions Employing Additive and Nonadditive Force Fields. The Journal of Physical Chemistry, 99 (25). 10081-10085 doi:10.1021/j100025a006
Caldwell, James W., Kollman, Peter A. (1992) Ab initio calculations on aquated chloride (Cl-(H2O)14) clusters: comparison with the results from molecular dynamics simulations. The Journal of Physical Chemistry, 96 (21). 8249-8251 doi:10.1021/j100200a010
Wang, Junmei, Wolf, Romain M., Caldwell, James W., Kollman, Peter A., Case, David A. (2005) Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case, "Development and testing of a general amber force field"Journal of Computational Chemistry(2004) 25(9) 1157-1174. Journal of Computational Chemistry, 26 (1). 114 doi:10.1002/jcc.20145
Caldwell, James W., Kollman, Peter A. (1995) Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide. The Journal of Physical Chemistry, 99 (16). 6208-6219 doi:10.1021/j100016a067
 
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