Các bài viết có thể truy cập công khai - J. Ilja SiepmannTìm hiểu thêm
Không có ở bất kỳ nơi nào: 16
Monte Carlo simulations of fluid phase equilibria and interfacial properties for water/alkane mixtures: An assessment of nonpolarizable water models and of departures from the …
B Xue, DB Harwood, JL Chen, JI Siepmann
Journal of Chemical & Engineering Data 63 (11), 4256-4268, 2018
Các cơ quan ủy nhiệm: US National Science Foundation
A review of biorefinery separations for bioproduct production via thermocatalytic processing
H Nguyen, RF DeJaco, N Mittal, JI Siepmann, M Tsapatsis, MA Snyder, ...
Annual Review of Chemical and Biomolecular Engineering 8 (1), 115-137, 2017
Các cơ quan ủy nhiệm: US Department of Energy
Deconstructing the confinement effect upon the organization and dynamics of water in hydrophobic nanoporous materials: Lessons Learned from zeolites
T Zhou, P Bai, JI Siepmann, AE Clark
The Journal of Physical Chemistry C 121 (40), 22015-22024, 2017
Các cơ quan ủy nhiệm: US Department of Energy
Assessment and optimization of configurational-bias Monte Carlo particle swap strategies for simulations of water in the Gibbs ensemble
P Bai, JI Siepmann
Journal of Chemical Theory and Computation 13 (2), 431-440, 2017
Các cơ quan ủy nhiệm: US National Science Foundation
Molecular simulation of olefin oligomer blend phase behavior
QP Chen, JD Chu, RF DeJaco, TP Lodge, JI Siepmann
Macromolecules 49 (10), 3975-3985, 2016
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy
Structure and phase behavior of mixed self-assembled alkanethiolate monolayers on gold nanoparticles: a Monte Carlo study
EO Fetisov, JI Siepmann
The Journal of Physical Chemistry B 120 (8), 1972-1978, 2016
Các cơ quan ủy nhiệm: US National Science Foundation
Computational design of high-χ block oligomers for accessing 1 nm domains
QP Chen, L Barreda, LE Oquendo, MA Hillmyer, TP Lodge, JI Siepmann
ACS nano 12 (5), 4351-4361, 2018
Các cơ quan ủy nhiệm: US National Science Foundation
Simultaneous measurement of the density and viscosity for n-Decane+ CO2 binary mixtures at temperature between (303.15 to 373.15) K and pressures up to 80 MPa
T Yang, Y Sun, X Meng, J Wu, JI Siepmann
Journal of Molecular Liquids 338, 116646, 2021
Các cơ quan ủy nhiệm: National Natural Science Foundation of China
Phase Equilibria of Difluoromethane (R32), 1,1,1,2-Tetrafluoroethane (R134a), and trans-1,3,3,3-Tetrafluoro-1-propene (R1234ze(E)) Probed by Experimental …
T Yang, JI Siepmann, J Wu
Industrial & Engineering Chemistry Research 60 (1), 739-752, 2020
Các cơ quan ủy nhiệm: National Natural Science Foundation of China
Synthesis, simulation, and self-assembly of a model amphiphile to push the limits of block polymer nanopatterning
L Barreda, Z Shen, QP Chen, TP Lodge, JI Siepmann, MA Hillmyer
Nano letters 19 (7), 4458-4462, 2019
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy, US National …
Using the k-d Tree Data Structure to Accelerate Monte Carlo Simulations
QP Chen, B Xue, JI Siepmann
Journal of Chemical Theory and Computation 13 (4), 1556-1565, 2017
Các cơ quan ủy nhiệm: US National Science Foundation
Mechanism of Methanol Dehydration Catalyzed by Al8O12 Nodes Assisted by Linker Amine Groups of the Metal–Organic Framework CAU-1
D Yang, S Chheda, Y Lyu, Z Li, Y Xiao, JI Siepmann, L Gagliardi, ...
ACS Catalysis 12 (20), 12845-12859, 2022
Các cơ quan ủy nhiệm: US Department of Energy, National Natural Science Foundation of China
From order to disorder: computational design of triblock amphiphiles with 1 nm domains
Z Shen, JL Chen, V Vernadskaia, SP Ertem, MK Mahanthappa, ...
Journal of the American Chemical Society 142 (20), 9352-9362, 2020
Các cơ quan ủy nhiệm: US National Science Foundation
Using molecular simulations to probe pore structures and polymer partitioning in size exclusion chromatography
QP Chen, MR Schure, JI Siepmann
Journal of Chromatography A 1573, 78-86, 2018
Các cơ quan ủy nhiệm: US National Science Foundation, US National Institutes of Health
A Simple Model with Wide Applicability for the Determination of Binary Interaction Parameters for Mixtures of n-Alkanes with Carbon Dioxide and Nitrogen
T Yang, JI Siepmann, J Wu
Industrial & Engineering Chemistry Research 61 (33), 12229-12238, 2022
Các cơ quan ủy nhiệm: National Natural Science Foundation of China
The Statistical Mechanics of Solution-Phase Nucleation: CaCO Revisited
EO Fetisov, MD Baer, JI Siepmann, GK Schenter, SM Kathmann, ...
Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS …, 2021
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy
Có tại một số nơi: 72
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
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy
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
Các cơ quan ủy nhiệm: US Department of Energy
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
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy
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
Các cơ quan ủy nhiệm: German Research Foundation
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