References
- Abascal 2005: ABASCAL, J. L. F., SANZ, E., GARCÍA FERNÁNDEZ, R. and VEGA, C., 2005. A potential model for the study of ices and amorphous water: TIP4P/Ice. The Journal of Chemical Physics. Online. 15 June 2005. Vol. 122, no. 23. DOI 10.1063/1.1931662.
- Abascal 2005B: ABASCAL, J. L. F. and VEGA, C., 2005. A general purpose model for the condensed phases of water: TIP4P/2005. The Journal of Chemical Physics. Online. 15 December 2005. Vol. 123, no. 23. DOI 10.1063/1.2121687.
- Avogadro: Avogadro https://github.com/cryos/avogadro/blob/master/crystals/ice/H2O-Ice-IV.cif
- Baez 1998: BÁEZ, Luis A. and CLANCY, Paulette, 1995, Phase equilibria in extended simple point charge ice‐water systems. The Journal of Chemical Physics [online]. 8 December 1995. Vol. 103, no. 22, p. 9744–9755. DOI 10.1063/1.469938. Available from: http://dx.doi.org/10.1063/1.469938
- Berendsen 1987: H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 1987.
- Cockayne 1995: COCKAYNE, Eric, 1995. Dense quasiperiodic decagonal disc packing. Physical Review B [online]. 1 June 1995. Vol. 51, no. 21, p. 14958–14961. DOI 10.1103/physrevb.51.14958. Available from: http://dx.doi.org/10.1103/PhysRevB.51.14958
- Engel 2018: ENGEL, Edgar A., ANELLI, Andrea, CERIOTTI, Michele, PICKARD, Chris J. and NEEDS, Richard J., 2018, Mapping uncharted territory in ice from zeolite networks to ice structures. Nature Communications [online]. 5 June 2018. Vol. 9, no. 1. DOI 10.1038/s41467-018-04618-6. Available from: http://dx.doi.org/10.1038/s41467-018-04618-6
- Frank 1959: FRANK, F. C. and KASPER, J. S., 1959, Complex alloy structures regarded as sphere packings. II. Analysis and classification of representative structures. Acta Crystallographica [online]. 10 July 1959. Vol. 12, no. 7, p. 483–499. DOI 10.1107/s0365110x59001499. Available from: http://dx.doi.org/10.1107/S0365110X59001499
- Falenty 2014: FALENTY, Andrzej, HANSEN, Thomas C. and KUHS, Werner F., 2014, Formation and properties of ice XVI obtained by emptying a type sII clathrate hydrate. Nature [online]. December 2014. Vol. 516, no. 7530, p. 231–233. DOI 10.1038/nature14014. Available from: http://dx.doi.org/10.1038/nature14014
- Fan 2010: Xiaofeng Fan, Dan Bing, Jingyun Zhang, Zexiang Shen, Jer-Lai Kuo, Computational Materials Science 49 (2010) S170–S175.
- Fennell 2005: FENNELL, Christopher J. and GEZELTER, J. Daniel, 2005, Computational Free Energy Studies of a New Ice Polymorph Which Exhibits Greater Stability than Ice Ih. Journal of Chemical Theory and Computation [online]. 30 April 2005. Vol. 1, no. 4, p. 662–667. DOI 10.1021/ct050005s. Available from: http://dx.doi.org/10.1021/ct050005s
- Geiger 2014: GEIGER, Philipp, DELLAGO, Christoph, MACHER, Markus, FRANCHINI, Cesare, KRESSE, Georg, BERNARD, Jürgen, STERN, Josef N. and LOERTING, Thomas, 2014. Proton Ordering of Cubic Ice Ic: Spectroscopy and Computer Simulations. The Journal of Physical Chemistry C. Online. 13 May 2014. Vol. 118, no. 20, p. 10989–10997. DOI 10.1021/jp500324x.
- Hirata 2017: HIRATA, Masanori, YAGASAKI, Takuma, MATSUMOTO, Masakazu and TANAKA, Hideki, 2017, Phase Diagram of TIP4P/2005 Water at High Pressure. Langmuir [online]. 24 August 2017. Vol. 33, no. 42, p. 11561–11569. DOI 10.1021/acs.langmuir.7b01764. Available from: http://dx.doi.org/10.1021/acs.langmuir.7b01764
- Hirsch 2004: Hirsch, T. K. & Ojamäe, L. Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies. J. Phys. Chem. B 108, 15856-15864 (2004)
- Huang 2016: HUANG, Yingying, ZHU, Chongqin, WANG, Lu, CAO, Xiaoxiao, SU, Yan, JIANG, Xue, MENG, Sheng, ZHAO, Jijun and ZENG, Xiao Cheng, 2016, A new phase diagram of water under negative pressure: The rise of the lowest-density clathrate s-III. Science Advances [online]. February 2016. Vol. 2, no. 2, p. e1501010. DOI 10.1126/sciadv.1501010. Available from: http://dx.doi.org/10.1126/sciadv.1501010
- Huang 2017: HUANG, Yingying, ZHU, Chongqin, WANG, Lu, ZHAO, Jijun and ZENG, Xiao Cheng, 2017, Prediction of a new ice clathrate with record low density: A potential candidate as ice XIX in guest-free form. Chemical Physics Letters [online]. March 2017. Vol. 671, p. 186–191. DOI 10.1016/j.cplett.2017.01.035. Available from: http://dx.doi.org/10.1016/j.cplett.2017.01.035
- Jackson 1997: Jackson, S. M., V. M. Nield, R. W. Whitworth, M. Oguro, and C. C. Wilson, 1997, ‘‘Single-crystal neutron diffraction studies of the structure of ice XI,’’ J. Phys. Chem. B 101, 6142.
- Jeffrey 1984: G. A. Jeffrey, In Inclusion Compounds; J. L. Atwood, J. E. D. Davies, D. D. MacNicol, Eds.; Academic Press: London, 1984, Vol. 1, Chap. 5.
- Jorgensen 1983: W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, Comparison of simple potential functions for simulating liquid water, J. Chem. Phys. 79 (1983) 926-935.
- Jorgensen 1985: W. L. Jorgensen and J. D. Madura, Temperature and size dependence for monte carlo simulations of TIP4P water, Mol. Phys. 56 (1985) 1381-1392.
- Kamb 1964: Kamb, B.IUCr. Ice. II. A proton-ordered form of ice. Acta Cryst 17, 1437–1449 (1964).
- Kamb 2003: Kamb, B., Hamilton, W. C., LaPlaca, S. J. & Prakash, A. Ordered Proton Configuration in Ice II, from Single‐Crystal Neutron Diffraction. J. Chem. Phys. 55, 1934–1945 (2003).
- Karttunen 2011: KARTTUNEN, Antti J., FÄSSLER, Thomas F., LINNOLAHTI, Mikko and PAKKANEN, Tapani A., 2011, Structural Principles of Semiconducting Group 14 Clathrate Frameworks. Inorganic Chemistry [online]. 7 March 2011. Vol. 50, no. 5, p. 1733–1742. DOI 10.1021/ic102178d. Available from: http://dx.doi.org/10.1021/ic102178d
- [Kawano 2024]: KAWANO, Yuta, Master Course Thesis, Okayama University, 2024.
- Koga 1997: KOGA, Kenichiro, ZENG, X. C. and TANAKA, Hideki, 1997. Freezing of Confined Water: A Bilayer Ice Phase in Hydrophobic Nanopores. Physical Review Letters [online]. 29 December 1997. Vol. 79, no. 26, p. 5262–5265. DOI 10.1103/physrevlett.79.5262. Available from: http://dx.doi.org/10.1103/PhysRevLett.79.5262
- Koga 2001: KOGA, Kenichiro, GAO, G. T., TANAKA, Hideki and ZENG, X. C., 2001, Formation of ordered ice nanotubes inside carbon nanotubes. Nature [online]. August 2001. Vol. 412, no. 6849, p. 802–805. DOI 10.1038/35090532. Available from: http://dx.doi.org/10.1038/35090532
- Kosyakov 1999: KOSYAKOV, V. I. and POLYANSKAYA, T. M., 1999, Using structural data for estimating the stability of water networks in clathrate and semiclathrate hydrates. Journal of Structural Chemistry [online]. March 1999. Vol. 40, no. 2, p. 239–245. DOI 10.1007/bf02903652. Available from: http://dx.doi.org/10.1007/BF02903652
- Koza 2000: KOZA, M. M., SCHOBER, H., HANSEN, T., TÖLLE, A. and FUJARA, F., 2000, Ice XII in Its Second Regime of Metastability. Physical Review Letters [online]. 1 May 2000. Vol. 84, no. 18, p. 4112–4115. DOI 10.1103/physrevlett.84.4112. Available from: http://dx.doi.org/10.1103/PhysRevLett.84.4112
- Kuhs 1998: KUHS, W. F., FINNEY, J. L., VETTIER, C. and BLISS, D. V., 1984, Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction. The Journal of Chemical Physics [online]. 15 October 1984. Vol. 81, no. 8, p. 3612–3623. DOI 10.1063/1.448109. Available from: http://dx.doi.org/10.1063/1.448109
- Liu 2019: LIU, Yuan, HUANG, Yingying, ZHU, Chongqin, LI, Hui, ZHAO, Jijun, WANG, Lu, OJAMÄE, Lars, FRANCISCO, Joseph S. and ZENG, Xiao Cheng, 2019, An ultralow-density porous ice with the largest internal cavity identified in the water phase diagram. Proceedings of the National Academy of Sciences [online]. 10 June 2019. Vol. 116, no. 26, p. 12684–12691. DOI 10.1073/pnas.1900739116. Available from: http://dx.doi.org/10.1073/pnas.1900739116
- Lei 2025: TAHERI, Bita, ZAKERHAMIDI, Mohammad Sadegh, SHAMKHALI, Amir Nasser, KIAN, Roshanak and SADEGHAN, Amir Amiri, 2025. Solvent polarity effect on photophysical properties of some aromatic azo dyes with focus on tautomeric and toxicity competition. Scientific Reports. Online. 5 May 2025. Vol. 15, no. 1. DOI 10.1038/s41598-025-00001-w.
- Lobban 1998: LOBBAN, C., FINNEY, J. L. and KUHS, W. F., 1998, The structure of a new phase of ice. Nature [online]. January 1998. Vol. 391, no. 6664, p. 268–270. DOI 10.1038/34622. Available from: http://dx.doi.org/10.1038/34622
- Londono 1988: LONDONO, D., KUHS, W. F. and FINNEY, J. L., 1988, Enclathration of helium in ice II: the first helium hydrate. Nature [online]. March 1988. Vol. 332, no. 6160, p. 141–142. DOI 10.1038/332141a0. Available from: http://dx.doi.org/10.1038/332141a0
- Londono 1993: LONDONO, J. D., KUHS, W. F. and FINNEY, J. L., 1993, Neutron diffraction studies of ices III and IX on under‐pressure and recovered samples. The Journal of Chemical Physics [online]. 15 March 1993. Vol. 98, no. 6, p. 4878–4888. DOI 10.1063/1.464942. Available from: http://dx.doi.org/10.1063/1.464942
- Mahoney 2000: MAHONEY, Michael W. and JORGENSEN, William L., 2000. A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions. The Journal of Chemical Physics. Online. 22 May 2000. Vol. 112, no. 20, p. 8910–8922. DOI 10.1063/1.481505.
- Matsui 2017: MATSUI, Takahiro, HIRATA, Masanori, YAGASAKI, Takuma, MATSUMOTO, Masakazu and TANAKA, Hideki, 2017, Communication: Hypothetical ultralow-density ice polymorphs. The Journal of Chemical Physics [online]. 7 September 2017. Vol. 147, no. 9, p. 091101. DOI 10.1063/1.4994757. Available from: http://dx.doi.org/10.1063/1.4994757
- Matsui 2019: MATSUI, Takahiro, YAGASAKI, Takuma, MATSUMOTO, Masakazu and TANAKA, Hideki, 2019, Phase diagram of ice polymorphs under negative pressure considering the limits of mechanical stability. The Journal of Chemical Physics [online]. 28 January 2019. Vol. 150, no. 4, p. 041102. DOI 10.1063/1.5083021. Available from: http://dx.doi.org/10.1063/1.5083021
- Matsumoto 2007: MATSUMOTO, M., BABA, A. and OHMINE, I., 2007. Topological building blocks of hydrogen bond network in water. The Journal of Chemical Physics. Online. 4 October 2007. Vol. 127, no. 13. DOI 10.1063/1.2772627.
- Matsumoto 2019: MATSUMOTO, Masakazu, YAGASAKI, Takuma and TANAKA, Hideki, 2019, A Bayesian approach for identification of ice Ih, ice Ic, high density, and low density liquid water with a torsional order parameter. The Journal of Chemical Physics [online]. 7 June 2019. Vol. 150, no. 21, p. 214504. DOI 10.1063/1.5096556. Available from: http://dx.doi.org/10.1063/1.5096556
- Matsumoto 2021: MATSUMOTO, Masakazu, YAGASAKI, Takuma and TANAKA, Hideki, 2021, Novel Algorithm to Generate Hydrogen-Disordered Ice Structures. Journal of Chemical Information and Modeling [online]. 24 May 2021. DOI 10.1021/acs.jcim.1c00440. Available from: http://dx.doi.org/10.1021/acs.jcim.1c00440
- Maynard-Casely 2010: MAYNARD-CASELY, H. E., BULL, C. L., GUTHRIE, M., LOA, I., MCMAHON, M. I., GREGORYANZ, E., NELMES, R. J. and LOVEDAY, J. S., 2010, The distorted close-packed crystal structure of methane A. The Journal of Chemical Physics [online]. 14 August 2010. Vol. 133, no. 6, p. 064504. DOI 10.1063/1.3455889. Available from: http://dx.doi.org/10.1063/1.3455889
- Mochizuki 2014: MOCHIZUKI, Kenji, HIMOTO, Kazuhiro and MATSUMOTO, Masakazu, 2014, Diversity of transition pathways in the course of crystallization into ice VII. Phys. Chem. Chem. Phys. [online]. 2014. Vol. 16, no. 31, p. 16419–16425. DOI 10.1039/c4cp01616e. Available from: http://dx.doi.org/10.1039/c4cp01616e
- Mochizuki 2024: MOCHIZUKI, Kenji, 2024. Hydrogen Ordering in Ice Ih Facilitates the Transition from HDA to Ice XII. The Journal of Physical Chemistry C. Online. 16 October 2024. DOI 10.1021/acs.jpcc.4c05371.
- Mousseau 2001: MOUSSEAU, Normand and BARKEMA, G.T., 2001, Fast bond-transposition algorithms for generating covalent amorphous structures. Current Opinion in Solid State and Materials Science [online]. December 2001. Vol. 5, no. 6, p. 497–502. DOI 10.1016/s1359-0286(02)00005-0. Available from: http://dx.doi.org/10.1016/S1359-0286(02)00005-0
- Nada 2003: Nada, Hiroki, and Jan P. J. M. van der Eerden. 2003. “An Intermolecular Potential Model for the Simulation of Ice and Water near the Melting Point: A Six-Site Model of H2O.” The Journal of Chemical Physics 118 (16): 7401–13.
- Nakamura 2015: NAKAMURA, Tatsuya, MATSUMOTO, Masakazu, YAGASAKI, Takuma and TANAKA, Hideki, 2015, Thermodynamic Stability of Ice II and Its Hydrogen-Disordered Counterpart: Role of Zero-Point Energy. The Journal of Physical Chemistry B [online]. 3 December 2015. Vol. 120, no. 8, p. 1843–1848. DOI 10.1021/acs.jpcb.5b09544. Available from: http://dx.doi.org/10.1021/acs.jpcb.5b09544
- Petrenko 1999: Petrenko and Whitworth, Physics of Ice, Table 11.2.
- Rosso 2016: DEL ROSSO, Leonardo, CELLI, Milva and ULIVI, Lorenzo, 2016, New porous water ice metastable at atmospheric pressure obtained by emptying a hydrogen-filled ice. Nature Communications [online]. 7 November 2016. Vol. 7, no. 1. DOI 10.1038/ncomms13394. Available from: http://dx.doi.org/10.1038/ncomms13394
- Russo 2014: RUSSO, John, ROMANO, Flavio and TANAKA, Hajime, 2014, New metastable form of ice and its role in the homogeneous crystallization of water. Nature Materials [online]. 18 May 2014. Vol. 13, no. 7, p. 733–739. DOI 10.1038/nmat3977. Available from: http://dx.doi.org/10.1038/NMAT3977
- Salzmann 2006: SALZMANN, C. G., 2006, The Preparation and Structures of Hydrogen Ordered Phases of Ice. Science [online]. 24 March 2006. Vol. 311, no. 5768, p. 1758–1761. DOI 10.1126/science.1123896. Available from: http://dx.doi.org/10.1126/science.1123896
- Sikiric 2010: DUTOUR SIKIRIĆ, Mathieu, DELGADO-FRIEDRICHS, Olaf and DEZA, Michel, 2010, Space fullerenes: a computer search for new Frank–Kasper structures. Acta Crystallographica Section A Foundations of Crystallography [online]. 5 August 2010. Vol. 66, no. 5, p. 602–615. DOI 10.1107/s0108767310022932. Available from: http://dx.doi.org/10.1107/S0108767310022932
- Smirnov 2013: SMIRNOV, Grigory S. and STEGAILOV, Vladimir V., 2013, Toward Determination of the New Hydrogen Hydrate Clathrate Structures. The Journal of Physical Chemistry Letters [online]. 9 October 2013. Vol. 4, no. 21, p. 3560–3564. DOI 10.1021/jz401669d. Available from: http://dx.doi.org/10.1021/jz401669d
- Stampfli 1986: Stampfli, P. A dodecagonal quasi-periodic lattice in 2 dimensions. Helv. Phys. Acta 59, 1260–1263 (1986).
- Strobel 2016: Strobel, Timothy A et al. “Hydrogen-Stuffed, Quartz-Like Water Ice.” Journal of the American Chemical Society 138.42 (2016): 13786–13789.
- Svishchev 1996: SVISHCHEV, Igor M. and KUSALIK, Peter G., 1996. Quartzlike polymorph of ice. Physical Review B. Online. 1 April 1996. Vol. 53, no. 14, p. R8815–R8817. DOI 10.1103/physrevb.53.r8815.
- Teeratchanan 2015: TEERATCHANAN, Pattanasak and HERMANN, Andreas, 2015, Computational phase diagrams of noble gas hydrates under pressure. The Journal of Chemical Physics [online]. 21 October 2015. Vol. 143, no. 15, p. 154507. DOI 10.1063/1.4933371. Available from: http://dx.doi.org/10.1063/1.4933371
- Vos 1993: VOS, Willem L., FINGER, Larry W., HEMLEY, Russell J. and MAO, Ho-kwang, 1993, NovelH2-H2O clathrates at high pressures. Physical Review Letters [online]. 8 November 1993. Vol. 71, no. 19, p. 3150–3153. DOI 10.1103/physrevlett.71.3150. Available from: http://dx.doi.org/10.1103/PhysRevLett.71.3150
- Weaire 1994: WEAIRE, D. and FHELAN, R., 1994. The structure of monodisperse foam. Philosophical Magazine Letters [online]. November 1994. Vol. 70, no. 5, p. 345–350. DOI 10.1080/09500839408240997. Available from: http://dx.doi.org/10.1080/09500839408240997
- Yagasaki 2018: YAGASAKI, Takuma, MATSUMOTO, Masakazu and TANAKA, Hideki, 2018, Phase Diagrams of TIP4P/2005, SPC/E, and TIP5P Water at High Pressure. The Journal of Physical Chemistry B [online]. 17 July 2018. Vol. 122, no. 31, p. 7718–7725. DOI 10.1021/acs.jpcb.8b04441. Available from: http://dx.doi.org/10.1021/acs.jpcb.8b04441
- Zhao 2019: Zhao, C.-L. et al. Seven-Site Effective Pair Potential for Simulating Liquid Water. J. Phys. Chem. B 123, 4594-4603 (2019).