J. Ilja Siepmann
J. Ilja Siepmann
Depts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U. Minnesota
Email verificata su umn.edu - Home page
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Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes
MG Martin, JI Siepmann
The Journal of Physical Chemistry B 102 (14), 2569-2577, 1998
23461998
Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen
JJ Potoff, JI Siepmann
AIChE journal 47 (7), 1676-1682, 2001
13222001
Configurational bias Monte Carlo: a new sampling scheme for flexible chains
JI Siepmann, D Frenkel
Molecular Physics 75 (1), 59-70, 1992
12671992
Novel configurational-bias Monte Carlo method for branched molecules. Transferable potentials for phase equilibria. 2. United-atom description of branched alkanes
MG Martin, JI Siepmann
The Journal of Physical Chemistry B 103 (21), 4508-4517, 1999
8491999
Monte Carlo calculations for alcohols and their mixtures with alkanes. Transferable potentials for phase equilibria. 5. United-atom description of primary, secondary, and…
B Chen, JJ Potoff, JI Siepmann
The Journal of Physical Chemistry B 105 (15), 3093-3104, 2001
7342001
Computer simulations of vapor–liquid phase equilibria of n‐alkanes
B Smit, S Karaborni, JI Siepmann
The Journal of chemical physics 102 (5), 2126-2140, 1995
5781995
Simulating the critical behaviour of complex fluids
JI Siepmann, S Karaborni, B Smit
Nature 365 (6444), 330-332, 1993
5401993
Transferable potentials for phase equilibria. 4. United-atom description of linear and branched alkenes and alkylbenzenes
CD Wick, MG Martin, JI Siepmann
The Journal of Physical Chemistry B 104 (33), 8008-8016, 2000
5362000
Transferable potentials for phase equilibria. 6. United-atom description for ethers, glycols, ketones, and aldehydes
JM Stubbs, JJ Potoff, JI Siepmann
The Journal of Physical Chemistry B 108 (45), 17596-17605, 2004
4122004
Liquid water from first principles: Investigation of different sampling approaches
IFW Kuo, CJ Mundy, MJ McGrath, JI Siepmann, J VandeVondele, M Sprik, ...
The Journal of Physical Chemistry B 108 (34), 12990-12998, 2004
3792004
Isobaric− isothermal molecular dynamics simulations utilizing density functional theory: an assessment of the structure and density of water at near-ambient conditions
J Schmidt, J VandeVondele, IFW Kuo, D Sebastiani, JI Siepmann, J Hutter, ...
The Journal of Physical Chemistry B 113 (35), 11959-11964, 2009
3302009
Transferable potentials for phase equilibria. 3. Explicit-hydrogen description of normal alkanes
B Chen, JI Siepmann
The Journal of Physical Chemistry B 103 (25), 5370-5379, 1999
3181999
A method for the direct calculation of chemical potentials for dense chain systems
JI Siepmann
Molecular Physics 70 (6), 1145-1158, 1990
3091990
Influence of surface topology and electrostatic potential on water/electrode systems
JI Siepmann, M Sprik
The Journal of chemical physics 102 (1), 511, 1998
2831998
Improving the efficiency of the configurational-bias Monte Carlo algorithm
TJH Vlugt, MG Martin, B Smit, JI Siepmann, R Krishna
Molecular Physics 94 (4), 727-733, 1998
2701998
Development of polarizable water force fields for phase equilibrium calculations
B Chen, J Xing, JI Siepmann
The Journal of Physical Chemistry B 104 (10), 2391-2401, 2000
2642000
High-resolution 13C and 1H solution NMR study of poly (lactide)
KAM Thakur, RT Kean, ES Hall, JJ Kolstad, TA Lindgren, MA Doscotch, ...
Macromolecules 30 (8), 2422-2428, 1997
2641997
Computer simulations of the energetics and siting of n-alkanes in zeolites
B Smit, JI Siepmann
The Journal of Physical Chemistry 98 (34), 8442-8452, 1994
2421994
Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine
CD Wick, JM Stubbs, N Rai, JI Siepmann
The Journal of Physical Chemistry B 109 (40), 18974-18982, 2005
2132005
Ultra-selective high-flux membranes from directly synthesized zeolite nanosheets
MY Jeon, D Kim, P Kumar, PS Lee, N Rangnekar, P Bai, M Shete, ...
Nature 543 (7647), 690-694, 2017
2082017
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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