Статті в журналах з теми "Grand Canonical Monte Carlo simulations"
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Ren, Ruichao, C. J. O'keeffe, and G. Orkoulas. "Sequential updating algorithms for grand canonical Monte Carlo simulations." Molecular Physics 105, no. 2-3 (January 20, 2007): 231–38. http://dx.doi.org/10.1080/00268970601143341.
Повний текст джерелаKindt, James T. "Pivot-coupled grand canonical Monte Carlo method for ring simulations." Journal of Chemical Physics 116, no. 15 (April 15, 2002): 6817–25. http://dx.doi.org/10.1063/1.1461359.
Повний текст джерелаKoibuchi, Hiroshi, Nobuyuki Kusano, Atsusi Nidaira, Komei Suzuki, and Mitsuru Yamada. "Grand canonical Monte Carlo simulations of elastic membranes with fluidity." Physics Letters A 319, no. 1-2 (December 2003): 44–52. http://dx.doi.org/10.1016/j.physleta.2003.10.018.
Повний текст джерелаWoo, Hyung-June, Aaron R. Dinner, and Benoît Roux. "Grand canonical Monte Carlo simulations of water in protein environments." Journal of Chemical Physics 121, no. 13 (October 2004): 6392–400. http://dx.doi.org/10.1063/1.1784436.
Повний текст джерелаCracknell, Roger F. "On the Sampling Method for Grand Canonical Monte Carlo Simulations." Molecular Simulation 13, no. 3 (September 1994): 235–40. http://dx.doi.org/10.1080/08927029408021987.
Повний текст джерелаHansen, Niels, Sven Jakobtorweihen, and Frerich J. Keil. "Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system." Journal of Chemical Physics 122, no. 16 (April 22, 2005): 164705. http://dx.doi.org/10.1063/1.1884108.
Повний текст джерелаSachin Krishnan, T. V., Sovan L. Das, and P. B. Sunil Kumar. "Transition from curvature sensing to generation in a vesicle driven by protein binding strength and membrane tension." Soft Matter 15, no. 9 (2019): 2071–80. http://dx.doi.org/10.1039/c8sm02623h.
Повний текст джерелаPham, Tony, Katherine A. Forrest, Adam Hogan, Keith McLaughlin, Jonathan L. Belof, Juergen Eckert, and Brian Space. "Simulations of hydrogen sorption in rht-MOF-1: identifying the binding sites through explicit polarization and quantum rotation calculations." J. Mater. Chem. A 2, no. 7 (2014): 2088–100. http://dx.doi.org/10.1039/c3ta14591c.
Повний текст джерелаRuff, Imre, András Baranyai, Gábor Pálinkás, and Karl Heinzinger. "Grand canonical Monte Carlo simulation of liquid argon." Journal of Chemical Physics 85, no. 4 (August 15, 1986): 2169–77. http://dx.doi.org/10.1063/1.451110.
Повний текст джерелаFábián, Balázs, Sylvain Picaud, Pál Jedlovszky, Aurélie Guilbert-Lepoutre, and Olivier Mousis. "Ammonia Clathrate Hydrate As Seen from Grand Canonical Monte Carlo Simulations." ACS Earth and Space Chemistry 2, no. 5 (March 9, 2018): 521–31. http://dx.doi.org/10.1021/acsearthspacechem.7b00133.
Повний текст джерелаGotzias, A., H. Heiberg-Andersen, M. Kainourgiakis, and Th Steriotis. "Grand canonical Monte Carlo simulations of hydrogen adsorption in carbon cones." Applied Surface Science 256, no. 17 (June 2010): 5226–31. http://dx.doi.org/10.1016/j.apsusc.2009.12.108.
Повний текст джерелаMoghaddam, Sarvin, and Athanassios Z. Panagiotopoulos. "Determination of second virial coefficients by grand canonical Monte Carlo simulations." Fluid Phase Equilibria 222-223 (August 2004): 221–24. http://dx.doi.org/10.1016/j.fluid.2004.06.018.
Повний текст джерелаSingh, Abhishek K., Jianxin Lu, Rachel S. Aga, and Boris I. Yakobson. "Hydrogen Storage Capacity of Carbon-Foams: Grand Canonical Monte Carlo Simulations." Journal of Physical Chemistry C 115, no. 5 (November 30, 2010): 2476–82. http://dx.doi.org/10.1021/jp104889a.
Повний текст джерелаCheong, Daniel W., and Athanassios Z. Panagiotopoulos *. "Phase behaviour of polyampholyte chains from grand canonical Monte Carlo simulations." Molecular Physics 103, no. 21-23 (November 10, 2005): 3031–44. http://dx.doi.org/10.1080/00268970500186045.
Повний текст джерелаYau, Danny H. L., Steven Y. Liem, and Kwong‐Yu Chan. "A contact cavity‐biased method for grand canonical Monte Carlo simulations." Journal of Chemical Physics 101, no. 9 (November 1994): 7918–24. http://dx.doi.org/10.1063/1.468218.
Повний текст джерелаGlover, Joseph, and Elena Besley. "Pore-filling contamination in metal–organic frameworks." Physical Chemistry Chemical Physics 20, no. 36 (2018): 23616–24. http://dx.doi.org/10.1039/c8cp04769c.
Повний текст джерелаSoroush Barhaghi, Mohammad, Korosh Torabi, Younes Nejahi, Loren Schwiebert, and Jeffrey J. Potoff. "Molecular exchange Monte Carlo: A generalized method for identity exchanges in grand canonical Monte Carlo simulations." Journal of Chemical Physics 149, no. 7 (August 21, 2018): 072318. http://dx.doi.org/10.1063/1.5025184.
Повний текст джерелаPeng, Xuan, Surendra Kumar Jain, Jayant Kumar Singh, Anqi Liu, and Qibing Jin. "Formation patterns of water clusters in CMK-3 and CMK-5 mesoporous carbons: a computational recognition study." Physical Chemistry Chemical Physics 20, no. 25 (2018): 17093–104. http://dx.doi.org/10.1039/c8cp01887a.
Повний текст джерелаAgrawal, Ankit, Mayank Agrawal, Donguk Suh, Yunsheng Ma, Ryotaro Matsuda, Akira Endo, Wei-Lun Hsu, and Hirofumi Daiguji. "Molecular simulation study on the flexibility in the interpenetrated metal–organic framework LMOF-201 using reactive force field." Journal of Materials Chemistry A 8, no. 32 (2020): 16385–91. http://dx.doi.org/10.1039/c9ta12065c.
Повний текст джерелаPinto, O. A., P. M. Pasinetti, A. J. Ramirez-Pastor, and F. D. Nieto. "The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study." Physical Chemistry Chemical Physics 17, no. 5 (2015): 3050–58. http://dx.doi.org/10.1039/c4cp04428b.
Повний текст джерелаClark, Matthew, Frank Guarnieri, Igor Shkurko, and Jeff Wiseman. "Grand Canonical Monte Carlo Simulation of Ligand−Protein Binding." Journal of Chemical Information and Modeling 46, no. 1 (January 2006): 231–42. http://dx.doi.org/10.1021/ci050268f.
Повний текст джерелаHerzog, G. W., and H. Leitner. "Grand canonical Monte Carlo simulation of double-layer capacity." Surface and Coatings Technology 27, no. 1 (January 1986): 29–39. http://dx.doi.org/10.1016/0257-8972(86)90042-3.
Повний текст джерелаDing, Xue, Fu Yu Liu, and Chao He Yang. "Grand Canonical Monte Carlo Simulations of Olefins Adsorption in Zeolite ZSM-5." Advanced Materials Research 550-553 (July 2012): 321–24. http://dx.doi.org/10.4028/www.scientific.net/amr.550-553.321.
Повний текст джерелаDornheim, Tobias. "Fermion sign problem in path integral Monte Carlo simulations: grand-canonical ensemble." Journal of Physics A: Mathematical and Theoretical 54, no. 33 (July 28, 2021): 335001. http://dx.doi.org/10.1088/1751-8121/ac1481.
Повний текст джерелаPASSERONE, DANIELE, FURIO ERCOLESSI, FRANCK CELESTINI, and ERIO TOSATTI. "REALISTIC SIMULATIONS OF Au(100): GRAND CANONICAL MONTE CARLO AND MOLECULAR DYNAMICS." Surface Review and Letters 06, no. 05 (October 1999): 663–68. http://dx.doi.org/10.1142/s0218625x99000640.
Повний текст джерелаCosoli, Paolo, Marco Ferrone, Sabrina Pricl, and Maurizio Fermeglia. "Grand Canonical Monte-Carlo simulations for VOCs adsorption in non-polar zeolites." International Journal of Environmental Technology and Management 7, no. 1/2 (2007): 228. http://dx.doi.org/10.1504/ijetm.2007.013247.
Повний текст джерелаHudson, T. S., D. Nguyen-Manh, A. C. T. van Duin, and A. P. Sutton. "Grand canonical Monte Carlo simulations of intergranular glassy films in silicon nitride." Materials Science and Engineering: A 422, no. 1-2 (April 2006): 123–35. http://dx.doi.org/10.1016/j.msea.2006.01.014.
Повний текст джерелаSpeidel, Joshua A., Jason R. Banfelder, and Mihaly Mezei. "Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations." Journal of Chemical Theory and Computation 2, no. 5 (July 2006): 1429–34. http://dx.doi.org/10.1021/ct0600363.
Повний текст джерелаXiong, Jian, Xiang-Jun Liu, Li-Xi Liang, and Qun Zeng. "Investigation of methane adsorption on chlorite by grand canonical Monte Carlo simulations." Petroleum Science 14, no. 1 (January 7, 2017): 37–49. http://dx.doi.org/10.1007/s12182-016-0142-1.
Повний текст джерелаGruhn, Thomas, and Martin Schoen. "Grand canonical ensemble Monte Carlo simulations of confined `nematic' Gay–Berne films." Thin Solid Films 330, no. 1 (September 1998): 46–58. http://dx.doi.org/10.1016/s0040-6090(98)00799-8.
Повний текст джерелаSong, Mee Kyung, and Kyoung Tai No. "Grand Canonical Monte Carlo simulations of hydrogen adsorption on aluminophosphate molecular sieves." International Journal of Hydrogen Energy 34, no. 5 (March 2009): 2325–28. http://dx.doi.org/10.1016/j.ijhydene.2008.12.076.
Повний текст джерелаLasich, Matthew, Amir H. Mohammadi, Kim Bolton, Jadran Vrabec, and Deresh Ramjugernath. "Phase equilibria of methane clathrate hydrates from Grand Canonical Monte Carlo simulations." Fluid Phase Equilibria 369 (May 2014): 47–54. http://dx.doi.org/10.1016/j.fluid.2014.02.012.
Повний текст джерелаHerdes, Carmelo, Miguel A. Santos, Francisco Medina, and Lourdes F. Vega. "Precise Characterization of Selected Silica-Based Materials from Grand Canonical Monte Carlo Simulations." Materials Science Forum 514-516 (May 2006): 1396–400. http://dx.doi.org/10.4028/www.scientific.net/msf.514-516.1396.
Повний текст джерелаPapadimitriou, Nikolaos I., Ioannis N. Tsimpanogiannis, Ioannis G. Economou, and Athanassios K. Stubos. "Monte Carlo simulations of the separation of a binary gas mixture (CH4 + CO2) using hydrates." Physical Chemistry Chemical Physics 20, no. 44 (2018): 28026–38. http://dx.doi.org/10.1039/c8cp02050g.
Повний текст джерелаGhoufi, Aziz, Denis Morineau, Ronan Lefort, Ivanne Hureau, Leila Hennous, Haochen Zhu, Anthony Szymczyk, Patrice Malfreyt, and Guillaume Maurin. "Molecular simulations of confined liquids: An alternative to the grand canonical Monte Carlo simulations." Journal of Chemical Physics 134, no. 7 (February 21, 2011): 074104. http://dx.doi.org/10.1063/1.3554641.
Повний текст джерелаSerna, Horacio, Eva G. Noya, and Wojciech T. Góźdź. "The influence of confinement on the structure of colloidal systems with competing interactions." Soft Matter 16, no. 3 (2020): 718–27. http://dx.doi.org/10.1039/c9sm02002k.
Повний текст джерелаSchoen, Martin. "Taylor-Expansion Monte Carlo Simulations of Classical Fluids in the Canonical and Grand Canonical Ensemble." Journal of Computational Physics 118, no. 1 (April 1995): 159–71. http://dx.doi.org/10.1006/jcph.1995.1087.
Повний текст джерелаLee, Hyeonseok, Farnaz A. Shakib, Kouqi Liu, Bo Liu, Bailey Bubach, Rajender S. Varma, Ho Won Jang, Mohammadreza Shokouhimher, and Mehdi Ostadhassan. "Adsorption based realistic molecular model of amorphous kerogen." RSC Advances 10, no. 39 (2020): 23312–20. http://dx.doi.org/10.1039/d0ra04453a.
Повний текст джерелаLin, Shiru, Yekun Wang, Yinghe Zhao, Luis R. Pericchi, Arturo J. Hernández-Maldonado, and Zhongfang Chen. "Machine-learning-assisted screening of pure-silica zeolites for effective removal of linear siloxanes and derivatives." Journal of Materials Chemistry A 8, no. 6 (2020): 3228–37. http://dx.doi.org/10.1039/c9ta11909d.
Повний текст джерелаDamasceno Borges, Daiane, and Douglas S. Galvao. "Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study." MRS Advances 3, no. 1-2 (2018): 115–20. http://dx.doi.org/10.1557/adv.2018.190.
Повний текст джерелаVlachy, V., and A. D. J. Haymet. "A grand canonical Monte Carlo simulation study of polyelectrolyte solutions." Journal of Chemical Physics 84, no. 10 (May 15, 1986): 5874–80. http://dx.doi.org/10.1063/1.449898.
Повний текст джерелаVo, Phuong, Hongduo Lu, Ke Ma, Jan Forsman, and Clifford E. Woodward. "Local Grand Canonical Monte Carlo Simulation Method for Confined Fluids." Journal of Chemical Theory and Computation 15, no. 12 (October 30, 2019): 6944–57. http://dx.doi.org/10.1021/acs.jctc.9b00804.
Повний текст джерелаZara, Stephen J., and David Nicholson. "Grand Canonical Ensemble Monte Carlo Simulation on a Transputer Array." Molecular Simulation 5, no. 3-4 (September 1990): 245–61. http://dx.doi.org/10.1080/08927029008022134.
Повний текст джерелаBaykasoglu, Cengiz, Humeyra Mert, and Celal Utku Deniz. "Grand canonical Monte Carlo simulations of methane adsorption in fullerene pillared graphene nanocomposites." Journal of Molecular Graphics and Modelling 106 (July 2021): 107909. http://dx.doi.org/10.1016/j.jmgm.2021.107909.
Повний текст джерелаHan, K. K., J. H. Cushman, and D. J. Diestler. "Grand canonical Monte Carlo simulations of a Stockmayer fluid in a slit micropore." Molecular Physics 79, no. 3 (June 20, 1993): 537–45. http://dx.doi.org/10.1080/00268979300101431.
Повний текст джерелаOrkoulas, G. "Acceleration of Monte Carlo simulations through spatial updating in the grand canonical ensemble." Journal of Chemical Physics 127, no. 8 (August 28, 2007): 084106. http://dx.doi.org/10.1063/1.2759923.
Повний текст джерелаLuque, Noelia B., Luis Reinaudi, Pablo Serra, and Ezequiel P. M. Leiva. "Electrochemical deposition on surface nanometric defects: Thermodynamics and grand canonical Monte Carlo simulations." Electrochimica Acta 54, no. 11 (April 2009): 3011–19. http://dx.doi.org/10.1016/j.electacta.2008.12.013.
Повний текст джерелаDÖGE, GUNTER, KLAUS MECKE, JESPER MØLLER, DIETRICH STOYAN, and RASMUS P. WAAGEPETERSEN. "GRAND CANONICAL SIMULATIONS OF HARD-DISK SYSTEMS BY SIMULATED TEMPERING." International Journal of Modern Physics C 15, no. 01 (January 2004): 129–47. http://dx.doi.org/10.1142/s0129183104005565.
Повний текст джерелаPopov, Maxim N., Thomas Dengg, Dominik Gehringer, and David Holec. "Adsorption of H2 on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study." C — Journal of Carbon Research 6, no. 2 (April 1, 2020): 20. http://dx.doi.org/10.3390/c6020020.
Повний текст джерелаYe, Jingyun, Lin Li, and J. Karl Johnson. "The effect of topology in Lewis pair functionalized metal organic frameworks on CO2 adsorption and hydrogenation." Catalysis Science & Technology 8, no. 18 (2018): 4609–17. http://dx.doi.org/10.1039/c8cy01018h.
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