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Freedman, Holly, Truong, Thanh N. (2003) A coupled RISM/MD or MC simulation methodology for solvation free energies. Chemical Physics Letters, 381. 362-367 doi:10.1016/j.cplett.2003.09.108

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Reference TypeJournal (article/letter/editorial)
TitleA coupled RISM/MD or MC simulation methodology for solvation free energies
JournalChemical Physics Letters
AuthorsFreedman, HollyAuthor
Truong, Thanh N.Author
Year2003 (November)Volume381
PublisherElsevier BV
DOIdoi:10.1016/j.cplett.2003.09.108Search in ResearchGate
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Mindat Ref. ID5909419Long-form Identifiermindat:1:5:5909419:9
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Full ReferenceFreedman, Holly, Truong, Thanh N. (2003) A coupled RISM/MD or MC simulation methodology for solvation free energies. Chemical Physics Letters, 381. 362-367 doi:10.1016/j.cplett.2003.09.108
Plain TextFreedman, Holly, Truong, Thanh N. (2003) A coupled RISM/MD or MC simulation methodology for solvation free energies. Chemical Physics Letters, 381. 362-367 doi:10.1016/j.cplett.2003.09.108
In(n.d.) Chemical Physics Letters Vol. 381. Elsevier BV

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Freedman, Holly, Le, Ly, Tuszynski, Jack A., Truong, Thanh N. (2008) Improving the Performance of the Coupled Reference Interaction Site Model−Hyper-netted Chain (RISM−HNC)/Simulation Method for Free Energy of Solvation. The Journal of Physical Chemistry B, 112 (8). 2340-2348 doi:10.1021/jp077179l
Freedman, Holly, Truong, Thanh N. (2004) Coupled reference interaction site model/simulation approach for thermochemistry of solvation: Theory and prospects. The Journal of Chemical Physics, 121 (5). 2187-2198 doi:10.1063/1.1760741
Freedman, Holly, Nguyen, Hung N., Truong, Thanh N. (2004) A Study of the Tautomeric Equilibria of 2-Hydroxypyridine/2-Oxopyridine and of Cytosine in Water Using the Coupled Reference Interaction Site Model(RISM)/Molecular Dynamics (MD) Approach. The Journal of Physical Chemistry B, 108 (49). 19043-19048 doi:10.1021/jp046453y
Freedman, Holly, Huynh, Linh P., Le, Ly, Cheatham, Thomas E., Tuszynski, Jack A., Truong, Thanh N. (2010) Explicitly Solvated Ligand Contribution to Continuum Solvation Models for Binding Free Energies: Selectivity of Theophylline Binding to an RNA Aptamer. The Journal of Physical Chemistry B, 114 (6). 2227-2237 doi:10.1021/jp9059664
Shapovalov, Vladimir, Truong, Thanh N, Kovalenko, Andriy, Hirata, Fumio (2000) Liquid structure at metal oxide–water interface: accuracy of a three-dimensional RISM methodology. Chemical Physics Letters, 320. 186-193 doi:10.1016/s0009-2614(00)00191-3
Freedman, Holly, Truong, Thanh N. (2004) An application of coupled reference interaction site model/molecular dynamics to the conformational analysis of the alanine dipeptide. The Journal of Chemical Physics, 121 (24). 12447pp. doi:10.1063/1.1818046
Chuev, G.N., Chiodo, S., Erofeeva, S.E., Fedorov, M.V., Russo, N., Sicilia, E. (2006) A quasilinear RISM approach for the computation of solvation free energy of ionic species. Chemical Physics Letters, 418. 485-489 doi:10.1016/j.cplett.2005.10.117
Truong, Thanh N, Truong, Thanh-Thai T (1999) A reaction class approach with the integrated molecular orbital+molecular orbital methodology. Chemical Physics Letters, 314. 529-533 doi:10.1016/s0009-2614(99)01188-4
Stefanovich, Eugene V., Truong, Thanh N. (1995) Optimized atomic radii for quantum dielectric continuum solvation models. Chemical Physics Letters, 244. 65-74 doi:10.1016/0009-2614(95)00898-e
Pham, Buu Q., Truong, Thanh N. (2012) Electronic spin transitions in finite-size graphene. Chemical Physics Letters, 535. 75-79 doi:10.1016/j.cplett.2012.03.041
Truong, Thanh N., Truong, Thanh-Thai T., Stefanovich, Eugene V. (1997) A general methodology for quantum modeling of free-energy profile of reactions in solution: An application to the Menshutkin NH3+CH3Cl reaction in water. The Journal of Chemical Physics, 107 (6). 1881-1889 doi:10.1063/1.474538
 
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