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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 121, 2023 - Issue 19-20: Thermodynamics 2022 Conference
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Thermodynamics 2022 Special Issue (by invitation only)

Hydrogen bonded configurations in liquid water and their correlations with local tetrahedral structures

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Article: e2202265 | Received 17 Oct 2022, Accepted 01 Apr 2023, Published online: 19 Apr 2023

References

  • G.M. Kontogeorgis, A. Schlaikjer, M.D. Olsen, B. Maribo-Mogensen, K. Thomsen, N. von Solms and X. Liang, Int. J. Thermophys 43 (4), 54 (2022).
  • A. Nilsson, C. Huang and L.G. Pettersson, J. Mol. Liq. 176, 2–16 (2012). doi:10.1016/j.molliq.2012.06.021
  • A. Nilsson and L.G. Pettersson, Nat. Commun. 6 (1), 1–11 (2015). doi:10.1038/ncomms9998
  • H. Tanaka, J. Chem. Phys. 112 (2), 799–809 (2000b). doi:10.1063/1.480609
  • E. Jagla, J. Chem. Phys. 111 (19), 8980–8986 (1999). doi:10.1063/1.480241
  • C. Bertrand and M. Anisimov, J. Phys. Chem. B 115 (48), 14099–14111 (2011). doi:10.1021/jp204011z
  • D. Chandler, Nature 531 (7593), E1–E2 (2016). doi:10.1038/nature16539
  • D. Fuentevilla and M. Anisimov, Phys. Rev. Lett. 97 (19), 195702 (2006). doi:10.1103/PhysRevLett.97.195702
  • D. Fuentevilla and M. Anisimov, Phys. Rev. Lett. 98 (14), 149904 (2007). doi:10.1103/PhysRevLett.98.149904
  • V. Holten and M. Anisimov, Sci. Rep. 2 (1), 1–7 (2012). doi:10.1038/srep00713
  • K.H. Kim, K. Amann-Winkel, N. Giovambattista, A. Späh, F. Perakis, H. Pathak, M.L. Parada, C. Yang, D. Mariedahl, T. Eklund, T.J. Lane, S. You, S. Jeong, M. Weston, J.H. Lee, I. Eom, M. Kim, J. Park, S.H. Chun, P.H. Poole and A. Nilsson, Science 370 (6519), 978–982 (2020). doi:10.1126/science.abb9385
  • K.H. Kim, A. Späh, H. Pathak, F. Perakis, D. Mariedahl, K. Amann-Winkel, J.A. Sellberg, J.H. Lee, S. Kim, J. Park, K.H. Nam, T. Katayama and A. Nilsson, Science 358 (6370), 1589–1593 (2017). doi:10.1126/science.aap8269
  • D.T. Limmer and D. Chandler, J. Chem. Phys. 135 (13), 134503 (2011). doi:10.1063/1.3643333
  • D.T. Limmer and D. Chandler, J. Chem. Phys. 138 (21), 214504 (2013). doi:10.1063/1.4807479
  • O. Mishima and H.E. Stanley, Nature 396 (6709), 329–335 (1998). doi:10.1038/24540
  • F. Perakis, K. Amann-Winkel, F. Lehmkühler, M. Sprung, D. Mariedahl, J.A. Sellberg, H. Pathak, A. Späh, F. Cavalca, D. Schlesinger, A. Ricci, A. Jain, B. Massani, F. Aubree, C.J. Benmore, T. Loerting, G. Grübel, L.G.M. Pettersson and A. Nilsson, Proc. Natl. Acad. Sci. 114 (31), 8193–8198 (2017). doi:10.1073/pnas.1705303114
  • L.G Pettersson, in Modern Problems of the Physics of Liquid Systems: Selected Reviews from the 8th International Conference “Physics of Liquid Matter: Modern Problems”, Kyiv, Ukraine, May 18–22 (2018), pp. 3–39. Springer International Publishing.
  • P.H. Poole, F. Sciortino, U. Essmann and H.E. Stanley, Nature 360 (6402), 324–328 (1992). doi:10.1038/360324a0
  • H.E. Stanley, P. Kumar, G. Franzese, L. Xu, Z. Yan, M.G. Mazza, S.V. Buldyrev, S.H. Chen and F. Mallamace, Eur. Phys. J. Special Top. 161 (1), 1–17 (2008). doi:10.1140/epjst/e2008-00746-3
  • H. Tanaka, Phys. Rev. E. 62 (5), 6968 (2000a). doi:10.1103/PhysRevE.62.6968
  • H. Tanaka, Phys. Rev. B. 66 (6), 064202 (2002). doi:10.1103/PhysRevB.66.064202
  • H. Tanaka, The European Physical Journal E 35 (10), 1–84 (2012). doi:10.1140/epje/i2012-12113-y
  • L. Xu, P. Kumar, S.V. Buldyrev, S.H. Chen, P.H. Poole, F. Sciortino and H.E. Stanley, Proc. Natl. Acad. Sci. 102 (46), 16558–16562 (2005). doi:10.1073/pnas.0507870102
  • A.K. Soper, Pure Appl. Chem. 82 (10), 1855–1867 (2010). doi:10.1351/PAC-CON-09-12-16
  • A.K. Soper, J. Chem. Phys. 150 (23), 234503 (2019). doi:10.1063/1.5096460
  • A.K. Soper, J. Teixeira and T. Head-Gordon, Proc. Natl. Acad. Sci. 107 (12), E44–E44 (2010). doi:10.1073/pnas.0912158107
  • H. Pathak, J. Palmer, D. Schlesinger, K.T. Wikfeldt, J.A. Sellberg, L.G. Pettersson and A. Nilsson, J. Chem. Phys. 145 (13), 134507 (2016). doi:10.1063/1.4963913
  • J. Russo, K. Akahane and H. Tanaka, Proc. Natl. Acad. Sci. 115 (15), E3333–E3341 (2018). doi:10.1073/pnas.1722339115
  • J. Russo and H. Tanaka, Nat. Commun. 5 (1), 1–11 (2014). doi:10.1038/ncomms4556
  • H.E. Stanley and J. Teixeira, J. Chem. Phys. 73 (7), 3404–3422 (1980). doi:10.1063/1.440538
  • U. Bergmann, P. Wernet, P. Glatzel, M. Cavalleri, L. Pettersson, A. Nilsson and S. Cramer, Phys. Rev. B. 66 (9), 092107 (2002). doi:10.1103/PhysRevB.66.092107
  • J.H. Guo, Y. Luo, A. Augustsson, J.E. Rubensson, C. Såthe, H. Ågren, H. Siegbahn and J. Nordgren, Phys. Rev. Lett. 89 (13), 137402 (2002). doi:10.1103/PhysRevLett.89.137402
  • S. Kashtanov, A. Augustsson, Y. Luo, J.H. Guo, C. Såthe, J.E. Rubensson, H. Siegbahn, J. Nordgren and H. …Ågren, Phys. Rev. B. 69 (2), 024201 (2004). doi:10.1103/PhysRevB.69.024201
  • S. Myneni, Y. Luo, L.Å. Näslund, M. Cavalleri, L. Ojamäe, H. Ogasawara, A. Pelmenschikov, P. Wernet, P. Väterlein, C. Heske, Z. Hussain, L. G. M. Pettersson and A. Nilsson, J. Phys.: Condensed Matter 14 (8), L213 (2002). doi:10.1088/0953-8984/14/8/106
  • L.Å. Näslund, J. Lüning, Y. Ufuktepe, H. Ogasawara, P. Wernet, U. Bergmann, L.G.M. Pettersson and A. Nilsson, J. Phys. Chem. B 109 (28), 13835–13839 (2005). doi:10.1021/jp052046q
  • J.D. Smith, C.D. Cappa, K.R. Wilson, B.M. Messer, R.C. Cohen and R.J. Saykally, Science 306 (5697), 851–853 (2004). doi:10.1126/science.1102560
  • P. Wernet, D. Nordlund, U. Bergmann, M. Cavalleri, M. Odelius, H. Ogasawara, L.Å Näslund, T.K. Hirsch, L. Ojamäe, P. Glatzel, L.G.M. Pettersson and A. Nilsson, Science 304 (5673), 995–999 (2004). doi:10.1126/science.1096205
  • K.R. Wilson, B.S. Rude, T. Catalano, R.D. Schaller, J.G. Tobin, D.T. Co and R. Saykally, J. Phys. Chem. B 105 (17), 3346–3349 (2001). doi:10.1021/jp010132u
  • L. Sapir and D. Harries, J. Chem. Theory. Comput. 13 (6), 2851–2857 (2017). doi:10.1021/acs.jctc.7b00238
  • G.A. Cisneros, K.T. Wikfeldt, L. Ojamäe, J. Lu, Y. Xu, H. Torabifard and F. …Paesani, Chem. Rev. 116 (13), 7501–7528 (2016). doi:10.1021/acs.chemrev.5b00644
  • J.D. Bernal and R.H. Fowler, J. Chem. Phys. 1 (8), 515–548 (1933). doi:10.1063/1.1749327
  • O. Demerdash, L.P. Wang and T. Head-Gordon, Wiley Interdiscip. Rev.: Comput. Mol. Sci. 8 (1), e1355 (2018). doi:10.1002/wcms.1355
  • A.V. Onufriev and S. Izadi, Wiley Interdiscip. Rev.: Comput. Mol. Sci. 8 (2), e1347 (2018). doi:10.1002/wcms.1347
  • J.F. Ouyang and R.P. Bettens, Chimia 69 (3), 104–111 (2015). doi:10.2533/chimia.2015.104
  • I. Shvab and R.J. Sadus, Fluid. Phase. Equilib. 407, 7–30 (2016). doi:10.1016/j.fluid.2015.07.040
  • C. Vega and J.L. Abascal, Phys. Chem. Chem. Phys. 13 (44), 19663–19688 (2011). doi:10.1039/c1cp22168j
  • R. Kumar, J.R. Schmidt and J.L. Skinner, J. Chem. Phys. 126 (20), 204107 (2007). doi:10.1063/1.2742385
  • C. Lawrence and J. Skinner, Chem. Phys. Lett. 369 (3-4), 472–477 (2003). doi:10.1016/S0009-2614(02)02039-0
  • H.S. Lee and M.E. Tuckerman, J. Chem. Phys. 125 (15), 154507 (2006). doi:10.1063/1.2354158
  • H. Xu, H.A. Stern and B. Berne, J. Phys. Chem. B 106 (8), 2054–2060 (2002). doi:10.1021/jp013426o
  • A.V. Muthachikavil, B. Peng, G.M. Kontogeorgis and X. Liang, J. Phys. Chem. B 125 (26), 7187–7198 (2021). doi:10.1021/acs.jpcb.1c02816
  • E. Tsochantaris, A.V. Muthachikavil, B. Peng, X. Liang and G.M. Kontogeorgis, AIChE J. 68, e17891 (2022). doi:10.1002/aic.v68.11
  • P.L. Chau and A. Hardwick, Mol. Phys. 93 (3), 511–518 (1998). doi:10.1080/002689798169195
  • J.R. Errington and P.G. Debenedetti, Nature 409 (6818), 318–321 (2001). doi:10.1038/35053024
  • E. Shiratani and M. Sasai, J. Chem. Phys. 104 (19), 7671–7680 (1996). doi:10.1063/1.471475
  • R. Shi and H. Tanaka, J. Chem. Phys. 148 (12), 124503 (2018). doi:10.1063/1.5024565
  • A.V. Muthachikavil, G.M. Kontogeorgis, X. Liang, Q. Lei and B. Peng, Phys. Rev. E. 105 (3), 034604 (2022). doi:10.1103/PhysRevE.105.034604
  • L.P. Wang, T. Head-Gordon, J.W. Ponder, P. Ren, J.D. Chodera, P.K. Eastman, T.J. Martinez and V.S. Pande, J. Phys. Chem. B 117 (34), 9956–9972 (2013). doi:10.1021/jp403802c
  • O. Demerdash, E.H. Yap and T. Head-Gordon, Annu. Rev. Phys. Chem. 65 (1), 149–174 (2014). doi:10.1146/physchem.2014.65.issue-1
  • H. Pathak, A. Späh, K. Amann-Winkel, F. Perakis, K.K.H. Kim and A. Nilsson, Mol. Phys. 117 (22), 3232–3240 (2019). doi:10.1080/00268976.2019.1649486
  • P. Eastman, J. Swails, J.D. Chodera, R.T. McGibbon, Y. Zhao, K.A. Beauchamp, L.P. Wang, A.C. Simmonett, M.P. Harrigan, C.D. Stern, R.P. Wiewiora, B.R. Brooks and V.S. Pande, PLoS J. Chem. Phys. Biol. 13 (7), e1005659 (2017). doi:10.1371/journal.pcbi.1005659
  • J. Åqvist, P. Wennerström, M. Nervall, S. Bjelic and B.O. Brandsdal, Chem. Phys. Lett. 384 (4-6), 288–294 (2004). doi:10.1016/j.cplett.2003.12.039
  • K.H. Chow and D.M. Ferguson, Comput. Phys. Commun. 91 (1-3), 283–289 (1995). doi:10.1016/0010-4655(95)00059-O
  • U. Essmann, L. Perera, M.L. Berkowitz, T. Darden, H. Lee and L.G. Pedersen, J. Chem. Phys. 103 (19), 8577–8593 (1995). doi:10.1063/1.470117
  • R.J. Gowers, M. Linke, J. Barnoud, T.J. Reddy, M.N. Melo, S.L. Seyler, J. Domanski, D.L. Dotson, S. Buchoux, I.M. Kenney and O. Beckstein, in Proceedings of the 15th Python in Science Sonference Vol. 98, (2016), p. 105. doi:10.25080/majora-629e541a-00e
  • P.H. Poole, F. Sciortino, T. Grande, H.E. Stanley and C.A. Angell, Phys. Rev. Lett. 73 (12), 1632 (1994). doi:10.1103/PhysRevLett.73.1632
  • K. Wikfeldt, A. Nilsson and L.G. Pettersson, Phys. Chem. Chem. Phys. 13 (44), 19918–19924 (2011). doi:10.1039/c1cp22076d
  • T. Urbic and K.A. Dill, J. Am. Chem. Soc. 140 (49), 17106–17113 (2018). doi:10.1021/jacs.8b08856
  • T.E. Gartner III, K.M. Hunter, E. Lambros, A. Caruso, M. Riera, G.R. Medders, A.Z. Panagiotopoulos, P.G. Debenedetti and F. Paesani, The anomalies and local structure of liquid water from many-body molecular dynamics simulations. ChemRxiv. Cambridge: Cambridge Open Engage (2021).
  • V. Babin, C. Leforestier and F. Paesani, J. Chem. Theory. Comput. 9 (12), 5395–5403 (2013). doi:10.1021/ct400863t
  • V. Babin, G.R. Medders and F. Paesani, J. Chemical Theory Comput. 10 (4), 1599–1607 (2014). doi:10.1021/ct500079y
  • G.R. Medders, V. Babin and F. Paesani, J. Chem. Theory Comput. 10 (8), 2906–2910 (2014). doi:10.1021/ct5004115
  • R.L. Blumberg, H.E. Stanley, A. Geiger and P. Mausbach, J. Chem. Phys. 80 (10), 5230–5241 (1984). doi:10.1063/1.446593
  • P. Jedlovszky, J. Brodholt, F. Bruni, M. Ricci, A.K. Soper and R. Vallauri, J. Chem. Phys. 108 (20), 8528–8540 (1998). doi:10.1063/1.476282

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