| 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 | 3415 | 1998 |
| Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen JJ Potoff, JI Siepmann AIChE journal 47 (7), 1676-1682, 2001 | 2174 | 2001 |
| Configurational bias Monte Carlo: a new sampling scheme for flexible chains JI Siepmann, D Frenkel Molecular Physics 75 (1), 59-70, 1992 | 1460 | 1992 |
| 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 | 1067 | 1999 |
| 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 | 986 | 2001 |
| 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 | 741 | 2000 |
| Advances, updates, and analytics for the computation-ready, experimental metal–organic framework database: CoRE MOF 2019 YG Chung, E Haldoupis, BJ Bucior, M Haranczyk, S Lee, H Zhang, ... Journal of Chemical & Engineering Data 64 (12), 5985-5998, 2019 | 661 | 2019 |
| 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 | 627 | 1995 |
| Simulating the critical behaviour of complex fluids JI Siepmann, S Karaborni, B Smit Nature 365 (6444), 330-332, 1993 | 589 | 1993 |
| Hydrogen sulfide capture: from absorption in polar liquids to oxide, zeolite, and metal–organic framework adsorbents and membranes MS Shah, M Tsapatsis, JI Siepmann Chemical reviews 117 (14), 9755-9803, 2017 | 547 | 2017 |
| 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 | 542 | 2004 |
| 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 | 527 | 2017 |
| Influence of surface topology and electrostatic potential on water/electrode systems JI Siepmann, M Sprik The Journal of chemical physics 102 (1), 511-524, 1995 | 471 | 1995 |
| 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 | 430 | 2004 |
| 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 | 393 | 2009 |
| 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 | 382 | 1999 |
| A method for the direct calculation of chemical potentials for dense chain systems JI Siepmann Molecular Physics 70 (6), 1145-1158, 1990 | 330 | 1990 |
| 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 | 312 | 1998 |
| 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 | 302 | 2000 |
| 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 | 301 | 1997 |
Christopher J. MundyPacific Northwest National LaboratoryVerifisert e-postadresse på pnnl.gov
