Document Type: Journal Article, Impacted Journal Arcticle, Monograph, Monograph Chapter, Proceedings Paper (International conf.), Proceedings Paper (Czech conf.)
Year(s): 2020, 2019, 2018, 2017, 2016, 2015
Database: ASEP
Current data to: 20.04.2020 v 14:04:52
Henderson, D., Holovko, M., Nezbeda, Ivo, Trokhymchuk, A. What is Liquid? Foreword. Condensed Matter Physics. 2015, 18(1), 10101-1-10101-4. ISSN 1607-324X
doi: 10.5488/CMP.18.10101
Permanent link: http://hdl.handle.net/11104/0246870
Chialvo, A.A., Moučka, F., Chialvo, L., Nezbeda, Ivo. Vapor-Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization. Journal of Physical Chemistry B. 2015, 119(15), 5010-5019. ISSN 1520-6106
doi: 10.1021/acs.jpcb.5b00595
Permanent link: http://hdl.handle.net/11104/0269946
Jirsák, J., Moučka, F., Škvor, J., Nezbeda, Ivo. Aqueous Electrolyte Surfaces in Strong Electric Fields: Molecular Insight into Nanoscale Jets and Bridges. Molecular Physics. 2015, 113(8), 848-853. ISSN 0026-8976
doi: 10.1080/00268976.2014.983199
Permanent link: http://hdl.handle.net/11104/0269939
Jirsák, Jan, Moučka, F., Nezbeda, Ivo. Molecular Simulation of Electrospinning. In: Conference Proceedings. Ostrava: TANGER LTD, 2015, S. 585-590. ISBN 978-80-87294-63-5.
http://hdl.handle.net/11104/0270086
Permanent link: http://hdl.handle.net/11104/0270086
Melnyk, R., Nezbeda, Ivo, Trokhymchuk, A. Structure Factor of a Hard-core Fluid with Short-range Yukawa Attraction: Analytical FMSA Theory against Monte Carlo Simulations. Molecular Physics. 2016, 114(16-17), 2523-2529. ISSN 0026-8976
doi: 10.1080/00268976.2016.1177663
Permanent link: http://hdl.handle.net/11104/0269765
Moučka, F., Nezbeda, Ivo, Smith, W.R. Chemical Potentials, Activity Coefficients, and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields. Journal of Chemical Theory and Computation. 2015, 11(4), 1756-1764. ISSN 1549-9618
doi: 10.1021/acs.jctc.5b00018.
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00018
Permanent link: http://hdl.handle.net/11104/0269952
Moučka, F., Smith, W.R., Nezbeda, Ivo. Chemical Potentials, Activity Coefficients and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields. In: Kosinsky, K., Urbanczyk, M., Žerko, S., eds. Book of Abstracts. Ozarow Mazowiecki: Nobell Compressing sp. z o.o, 2015, S. 1. ISBN N.
http://icsec.qatar.tamu.edu/program/
Permanent link: http://hdl.handle.net/11104/0257154
Moučka, F., Smith, W.R., Nezbeda, Ivo. Chemical Potentials, Activity Coefficients and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields. In: Kosinsky, K., Urbanczyk, M., Žerko, S., eds. Book of Abstracts. Ozarow Mazowiecki: Nobell Compressing sp. z o.o, 2015, S. 93-94. ISBN N.
http://rua.ua.es/dspace/bitstream/10045/50110/1/Book_of_Abstracts_EQUIFASE_X_2015.pdf
Permanent link: http://hdl.handle.net/11104/0257155
Moučka, F., Nezbeda, Ivo, Smith, W.R. Molecular Simulation of Polarizable Models of Electrolytes: Concentration Dependence of the Chemical Potentials, Density and Solubility. In: Kontogeorgis, G., ed. Proceedings. Lyngby: DTU Chemical Engineering, 2015, S. 89. ISBN N.
http://www.thermodynamics2015.org/wp-content/uploads/2015/09/Thermodynamics2015.pdf
Permanent link: http://hdl.handle.net/11104/0257259
Moučka, F., Nezbeda, Ivo, Smith, W.R. New Twists in Aqueous Electrolyte Research: Necessity to Go to Polarizable Models and Associated Problems. In: Kosinsky, K., Urbanczyk, M., Žerko, S., eds. Book of Abstracts. Ozarow Mazowiecki: Nobell Compressing sp. z o.o, 2015. ISBN N.
http://139.30.122.30/EMLGJMLG2015_programme.pdf
Permanent link: http://hdl.handle.net/11104/0257157
Moučka, F., Nezbeda, Ivo, Smith, W.R. Prediction of Chemical Potentials, Activity Coefficients and Solubility in Aqueous NaCl Solutions by Polarizable Models. In: Kosinsky, K., Urbanczyk, M., Žerko, S., eds. Book of Abstracts. Ozarow Mazowiecki: Nobell Compressing sp. z o.o, 2015, S. 207. ISBN N.
Permanent link: http://hdl.handle.net/11104/0247358
Nezbeda, Ivo, Jirsák, J., Moučka, F., Smith, W.R. Application of Molecular Simulations: Insight into Liquid Bridging and Jetting Phenomena. Condensed Matter Physics. 2015, 18(1), 13602. ISSN 1607-324X
doi: 10.5488/CMP.18.13602
Permanent link: http://hdl.handle.net/11104/0270210
Nezbeda, Ivo, Moučka, F., Smith, W.R. Ionic Force Fields for Electrolytes: Molecular Simulations, Chemical Potentials and Solubilities. In: Kosinsky, K., Urbanczyk, M., Žerko, S., eds. Book of Abstracts. Ozarow Mazowiecki: Nobell Compressing sp. z o.o, 2015. ISBN N.
http://www.cecam.org/workshop-4-1185.html?presentation_id=14049
Permanent link: http://hdl.handle.net/11104/0257261
Nezbeda, Ivo, Jirsák, J., Moučka, F. Molecular Modeling and Simulations. In: Afshari, M., ed. Electrospun Nanofibers. Duxford: Elsevier, 2017, S. 255-275. ISBN 978-0-08-100907-9
doi: 10.1016/B978-0-08-100907-9.00011-8.
http://hdl.handle.net/11104/0270333
Permanent link: http://hdl.handle.net/11104/0270333
Nezbeda, Ivo. Pitfalls in Vapor-Liquid Equilibrium Simulations: Relaibility of Published Data. In: Blahušiak, M., Mihal, M., eds. Proceedings. Bratislava: Slovak Society of Chemical Engineering, 2017, S. 49. ISBN 978-80-89597-58-1.
Permanent link: http://hdl.handle.net/11104/0272368
Nezbeda, Ivo. Pittfalls in Vapor-liquid Equilibrium Simulations: Reliability of Published Data. In: Book of Abstracts. -, 2017, S. 69. ISBN N.
Permanent link: http://hdl.handle.net/11104/0271749
Nezbeda, Ivo, Smith, W.R. Polarizable versus non-Polarizable Force Fields of Electrolytes: Simulation Methodologies, Chemical Potentials, and Solubility. In: Macedo, M.E., ed. Book of Abstracts. Porto: Facultade de Engenharia da Universidade do Porto, 2016, 1 - O1-4. ISBN 978-989-20-6695-0.
Permanent link: http://hdl.handle.net/11104/0260534
Nezbeda, Ivo, Moučka, F., Smith, W.R. Recent Progress in Molecular Simulation of Aqueous Electrolytes: Force Fields, Chemical Potentials and Solubility. Molecular Physics. 2016, 114(11), 1665-1690. ISSN 0026-8976
doi: 10.1080/00268976.2016.1165296
Permanent link: http://hdl.handle.net/11104/0264477
Rouha, M., Nezbeda, Ivo. Second Virial Coefficients: A Route to Combining Rules? Molecular Physics. 2017, 115(9-12), 1191-1199. ISSN 0026-8976
doi: 10.1080/00268976.2016.1263763
Permanent link: http://hdl.handle.net/11104/0276569
Smith, W.R., Moučka, F., Nezbeda, Ivo. Osmotic Pressure of Aqueous Electrolyte Solutions via Molecular Simulations of Chemical Potentials: Application to NaCl. Fluid Phase Equilibria. 2016, 407(Sl), 76-83. ISSN 0378-3812
doi: 10.1016/j.fluid.2015.05.012
Permanent link: http://hdl.handle.net/11104/0269829
Smith, W.R., Jirsák, Jan, Nezbeda, Ivo, Qi, W. Properties of Fluids Modelled by Force Fields with Intramolecular Contributions: Application to Heat Capacities. Journal of Chemical Physics. 2017, 147(3), 034508. ISSN 0021-9606
doi: 10.1063/1.4993572
Permanent link: http://hdl.handle.net/11104/0276184
Škvára, J., Škvor, J., Nezbeda, Ivo. Evaluation of the Contact Angle from Molecular Simulations. Molecular Simulation. 2018, 44(3), 190-199. ISSN 0892-7022
doi: 10.1080/08927022.2017.1359744
Permanent link: http://hdl.handle.net/11104/0279386
Škvor, J., Škvára, J., Jirsák, Jan, Nezbeda, Ivo. A General Method for Determining Molecular Interfaces and Layers. Journal of Molecular Graphics & Modelling. 2017, 76(SEP 2017), 17-35. ISSN 1093-3263
doi: 10.1016/j.jmgm.2017.05.016
Permanent link: http://hdl.handle.net/11104/0276573
Trokhymchuk, A., Melnyk, R., Nezbeda, Ivo. Virial Expansions and Augmented van der Waals Approach: Application to Lennard-Jones-like Yukawa Fluid. Condensed Matter Physics. 2015, 18(1), 13501. ISSN 1607-324X
doi: 10.5488/CMP.18.13501
Permanent link: http://hdl.handle.net/11104/0270213
Vlček, L., Uhlík, F., Moučka, F., Nezbeda, Ivo, Chialvo, L. Thermodynamics of Small Alkali Metal Halide Cluster Ions: Comparison of Classical Molecular Simulations with Experiment and Quantum Chemistry. Journal of Physical Chemistry A. 2015, 119(3), 488-500. ISSN 1089-5639
doi: 10.1021/jp509401d
Permanent link: http://hdl.handle.net/11104/0269970