Siepmann JI - Search Results

1

Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene.

Lubna N, Kamath G, Potoff JJ, Rai N, Siepmann JI. Lubna N, et al. Among authors: siepmann ji. J Phys Chem B. 2005 Dec 22;109(50):24100-7. doi: 10.1021/jp0549125. J Phys Chem B. 2005. PMID: 16375402

2

Effects of conformational distributions on sigma profiles in COSMO theories.

Wang S, Stubbs JM, Siepmann JI, Sandler SI. Wang S, et al. Among authors: siepmann ji. J Phys Chem A. 2005 Dec 15;109(49):11285-94. doi: 10.1021/jp053859h. J Phys Chem A. 2005. PMID: 16331913

3

Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine.

Wick CD, Stubbs JM, Rai N, Siepmann JI. Wick CD, et al. Among authors: siepmann ji. J Phys Chem B. 2005 Oct 13;109(40):18974-82. doi: 10.1021/jp0504827. J Phys Chem B. 2005. PMID: 16853443

4

Transferable potentials for phase equilibria. 9. Explicit hydrogen description of benzene and five-membered and six-membered heterocyclic aromatic compounds.

Rai N, Siepmann JI. Rai N, et al. Among authors: siepmann ji. J Phys Chem B. 2007 Sep 13;111(36):10790-9. doi: 10.1021/jp073586l. Epub 2007 Aug 22. J Phys Chem B. 2007. PMID: 17713943

5

Solubility in supercritical carbon dioxide: importance of the Poynting correction and entrainer effects.

Anderson KE, Siepmann JI. Anderson KE, et al. Among authors: siepmann ji. J Phys Chem B. 2008 Sep 11;112(36):11374-80. doi: 10.1021/jp802374c. Epub 2008 Aug 16. J Phys Chem B. 2008. PMID: 18707162

6

Structure and speciation in hydrous silica melts. 1. Temperature and composition effects.

Anderson KE, Hirschmann MM, Siepmann JI. Anderson KE, et al. Among authors: siepmann ji. J Phys Chem B. 2008 Oct 16;112(41):13005-14. doi: 10.1021/jp802253d. Epub 2008 Sep 24. J Phys Chem B. 2008. PMID: 18811182

7

Monte Carlo simulations of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB): Pressure and temperature effects for the solid phase and vapor-liquid phase equilibria.

Rai N, Bhatt D, Siepmann JI, Fried LE. Rai N, et al. Among authors: siepmann ji. J Chem Phys. 2008 Nov 21;129(19):194510. doi: 10.1063/1.3006054. J Chem Phys. 2008. PMID: 19026069

8

Transferable potentials for phase equilibria-coarse-grain description for linear alkanes.

Maerzke KA, Siepmann JI. Maerzke KA, et al. Among authors: siepmann ji. J Phys Chem B. 2011 Apr 7;115(13):3452-65. doi: 10.1021/jp1063935. Epub 2011 Mar 11. J Phys Chem B. 2011. PMID: 21395331

9

Transferable potentials for phase equilibria-united atom description of five- and six-membered cyclic alkanes and ethers.

Keasler SJ, Charan SM, Wick CD, Economou IG, Siepmann JI. Keasler SJ, et al. Among authors: siepmann ji. J Phys Chem B. 2012 Sep 13;116(36):11234-46. doi: 10.1021/jp302975c. Epub 2012 Sep 4. J Phys Chem B. 2012. PMID: 22900670

10

Transferable potentials for phase equilibria. 10. Explicit-hydrogen description of substituted benzenes and polycyclic aromatic compounds.

Rai N, Siepmann JI. Rai N, et al. Among authors: siepmann ji. J Phys Chem B. 2013 Jan 10;117(1):273-88. doi: 10.1021/jp307328x. Epub 2012 Dec 21. J Phys Chem B. 2013. PMID: 23205778

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