{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T01:06:32Z","timestamp":1775005592306,"version":"3.50.1"},"reference-count":75,"publisher":"AIP Publishing","issue":"7","funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["MA 1547\/11-2"],"award-info":[{"award-number":["MA 1547\/11-2"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["RESOLV EXC 2033 390677874"],"award-info":[{"award-number":["RESOLV EXC 2033 390677874"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2025,2,21]]},"abstract":"<jats:p>Solvation plays a pivotal role in chemistry to effectively steer chemical reactions. While liquid water has been extensively studied, our molecular-level knowledge of other associated liquids capable of forming H-bond networks, such as liquid methanol, remains surprisingly scarce. We use large-scale ab\u00a0initio molecular dynamics simulations to comprehensively study the structural, dynamical, and electronic properties of bulk methanol under ambient conditions. Methanol is an interesting species in the liquid state since it can only donate one H-bond while a significant fraction accepts two H-bonds, which imprints one-dimensional linear and cyclic H-bonding patterns subject to significant bifurcations. After validation of radial distribution functions and the self-diffusion coefficient with respect to experimental data, we carried out detailed analyses of the H-bond network topology in terms of chain-like, ring-like, and branched H-bonded aggregates, including lifetime assessment. The analysis revealed that nearly all methanol molecules are actively engaged in filamentary H-bonding, predominantly forming branched linear chains with a significant contribution arising from tetrameric to hexameric rings\u2014in stark contrast to the compact three-dimensional H-bond network of water. Five-membered rings turned out to be the most long-lived cyclic structures with an intermittent lifetime of 4\u00a0ps, while rings consisting of only three methanol molecules as well as very large cyclic structures are merely transient motifs. Detailed analyses of the effective electric molecular dipoles disclose a pronounced sensitivity of non-additive polarization and charge transfer effects of the individual methanol molecules to the particular H-bond network structure they are a member of, including its topology, be it linear or cyclic.<\/jats:p>","DOI":"10.1063\/5.0247191","type":"journal-article","created":{"date-parts":[[2025,2,20]],"date-time":"2025-02-20T10:39:07Z","timestamp":1740047947000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":6,"title":["On the complex hydrogen-bond network structural dynamics of liquid methanol: Chains, rings, bifurcations, and lifetimes"],"prefix":"10.1063","volume":"162","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4631-7500","authenticated-orcid":false,"given":"Sebastian","family":"Blach","sequence":"first","affiliation":[{"name":"Lehrstuhl f\u00fcr Theoretische Chemie, Ruhr-Universit\u00e4t Bochum 1 , 44780 Bochum,","place":["Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Harald","family":"Forbert","sequence":"additional","affiliation":[{"name":"Center for Solvation Science ZEMOS, Ruhr-Universit\u00e4t Bochum 2 , 44780 Bochum,","place":["Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dominik","family":"Marx","sequence":"additional","affiliation":[{"name":"Lehrstuhl f\u00fcr Theoretische Chemie, Ruhr-Universit\u00e4t Bochum 1 , 44780 Bochum,","place":["Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2025,2,20]]},"reference":[{"key":"2025022010390338300_c1","doi-asserted-by":"publisher","first-page":"75","DOI":"10.1096\/fasebj.10.1.8566551","article-title":"Forces contributing to the conformational stability of proteins","volume":"10","year":"1996","journal-title":"FASEB J."},{"key":"2025022010390338300_c2","doi-asserted-by":"publisher","first-page":"273","DOI":"10.1146\/annurev-physchem-040412-110156","article-title":"Cosolvent effects on protein stability","volume":"64","year":"2013","journal-title":"Annu. Rev. Phys. Chem."},{"key":"2025022010390338300_c3","doi-asserted-by":"publisher","first-page":"761","DOI":"10.1016\/s0959-440x(01)00278-0","article-title":"Proteins in organic solvents","volume":"11","year":"2001","journal-title":"Curr. Opin. Struct. Biol."},{"key":"2025022010390338300_c4","doi-asserted-by":"publisher","first-page":"297","DOI":"10.1017\/s003358359800345x","article-title":"Trifluoroethanol and colleagues: Cosolvents come of age. Recent studies with peptides and proteins","volume":"31","year":"1998","journal-title":"Q. Rev. Biophys."},{"key":"2025022010390338300_c5","doi-asserted-by":"publisher","first-page":"163","DOI":"10.1016\/s1359-0278(97)00023-0","article-title":"Conformational transitions provoked by organic solvents in \u03b2-lactoglobulin: Can a molten globule like intermediate Be induced by the decrease in dielectric constant?","volume":"2","year":"1997","journal-title":"Folding Des."},{"key":"2025022010390338300_c6","doi-asserted-by":"publisher","first-page":"8169","DOI":"10.1038\/s41598-022-12226-0","article-title":"Unveiling host\u2013guest\u2013solvent interactions in solution by identifying highly unstable host\u2013guest configurations in thermal non-equilibrium gas phase","volume":"12","year":"2022","journal-title":"Sci. Rep."},{"key":"2025022010390338300_c7","volume-title":"Water Science Reviews 1","year":"2008"},{"key":"2025022010390338300_c8","volume-title":"Molecular Theory of Water and Aqueous Solutions","year":"2009"},{"key":"2025022010390338300_c9","volume-title":"Molecular Theory of Water and Aqueous Solutions. Part I: Understanding Water","year":"2010"},{"key":"2025022010390338300_c10","volume-title":"Water in Biological and Chemical Processes: From Structure and Dynamics to Function","year":"2013","edition":"1"},{"key":"2025022010390338300_c11","volume-title":"Beyond Oil and Gas: The Methanol Economy, Third, Updated and Enlarged Edition","year":"2018"},{"key":"2025022010390338300_c12","doi-asserted-by":"publisher","first-page":"596","DOI":"10.3390\/en13030596","article-title":"A review of the methanol economy: The fuel cell route","volume":"13","year":"2020","journal-title":"Energies"},{"key":"2025022010390338300_c13","doi-asserted-by":"publisher","first-page":"934","DOI":"10.1038\/s41929-021-00696-w","article-title":"Solar methanol energy storage","volume":"4","year":"2021","journal-title":"Nat. Catal."},{"key":"2025022010390338300_c14","doi-asserted-by":"publisher","first-page":"341","DOI":"10.1021\/ja00392a017","article-title":"Quantum and statistical mechanical studies of liquids. 11. Transferable intermolecular potential functions. Application to liquid methanol including internal rotation","volume":"103","year":"1981","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2025022010390338300_c15","doi-asserted-by":"publisher","first-page":"6655","DOI":"10.1063\/1.1605093","article-title":"Hydrogen bond dynamics in liquid methanol","volume":"119","year":"2003","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c16","doi-asserted-by":"publisher","first-page":"6426","DOI":"10.1021\/jp909894y","article-title":"Structure of liquid linear alcohols","volume":"114","year":"2010","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2025022010390338300_c17","doi-asserted-by":"publisher","first-page":"13473","DOI":"10.1021\/jp206665w","article-title":"Hydrogen bonding and molecular aggregates in liquid methanol, ethanol, and 1-propanol","volume":"115","year":"2011","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2025022010390338300_c18","doi-asserted-by":"publisher","first-page":"4934","DOI":"10.1021\/j100303a011","article-title":"Molecular-dynamics simulation of liquid methanol","volume":"91","year":"1987","journal-title":"J.\u00a0Phys. Chem."},{"key":"2025022010390338300_c19","doi-asserted-by":"publisher","first-page":"1276","DOI":"10.1021\/j100398a015","article-title":"Optimized intermolecular potential functions for liquid alcohols","volume":"90","year":"1986","journal-title":"J.\u00a0Phys. Chem."},{"key":"2025022010390338300_c20","doi-asserted-by":"publisher","first-page":"25","DOI":"10.1016\/0167-7322(94)00738-1","article-title":"Solvation dynamics in methanol: Experimental and molecular dynamics simulation studies","volume":"60","year":"1994","journal-title":"J.\u00a0Mol. Liq."},{"key":"2025022010390338300_c21","doi-asserted-by":"publisher","first-page":"1369","DOI":"10.1002\/cphc.200400663","article-title":"The structure of liquid methanol","volume":"6","year":"2005","journal-title":"ChemPhysChem"},{"key":"2025022010390338300_c22","doi-asserted-by":"publisher","first-page":"2051","DOI":"10.1063\/1.444061","article-title":"On the structure of methyl alcohol at room temperature","volume":"77","year":"1982","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c23","doi-asserted-by":"publisher","first-page":"1159","DOI":"10.1080\/00268979909483060","article-title":"The structure of liquid methanol revisited: A neutron diffraction experiment at \u221280\u2009\u00b0C and +25\u2009\u00b0C","volume":"96","year":"1999","journal-title":"Mol. Phys."},{"key":"2025022010390338300_c24","doi-asserted-by":"publisher","first-page":"603","DOI":"10.1080\/00268979909482859","article-title":"The structure of liquid methanol revisited: A neutron diffraction experiment at \u221280\u2009\u00b0C and +25\u2009\u00b0C","volume":"97","year":"1999","journal-title":"Mol. Phys."},{"key":"2025022010390338300_c25","doi-asserted-by":"publisher","first-page":"3387","DOI":"10.1063\/1.447093","article-title":"Hydrogen bonding in liquid methanol and ethanol determined by X-ray diffraction","volume":"80","year":"1984","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c26","doi-asserted-by":"publisher","first-page":"3567","DOI":"10.1021\/jp9121968","article-title":"The microscopic structure of liquid methanol from Raman spectroscopy","volume":"114","year":"2010","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2025022010390338300_c27","doi-asserted-by":"publisher","first-page":"63","DOI":"10.1016\/s0009-2614(98)00487-4","article-title":"Chemical shift study of liquid and supercritical methanol","volume":"290","year":"1998","journal-title":"Chem. Phys. Lett."},{"key":"2025022010390338300_c28","doi-asserted-by":"publisher","first-page":"9879","DOI":"10.1063\/1.477656","article-title":"Nuclear magnetic resonance and molecular dynamics study of methanol up to the supercritical region","volume":"109","year":"1998","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c29","doi-asserted-by":"publisher","first-page":"10645","DOI":"10.1021\/ja962101w","article-title":"Some observations on the structures of liquid alcohols and their heats of vaporization","volume":"118","year":"1996","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2025022010390338300_c30","doi-asserted-by":"publisher","first-page":"270","DOI":"10.1246\/bcsj.58.270","article-title":"The structure of liquid alcohols by neutron and X-ray diffraction. III. Liquid structure of methanol","volume":"58","year":"1985","journal-title":"Bull. Chem. Soc. Jpn."},{"key":"2025022010390338300_c31","doi-asserted-by":"publisher","first-page":"2032","DOI":"10.1063\/1.465266","article-title":"Molecular clusters and correlations in liquid methanol at room temperature","volume":"99","year":"1993","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c32","doi-asserted-by":"publisher","first-page":"104205","DOI":"10.1103\/physrevb.71.104205","article-title":"Chemical and electronic structures of liquid methanol from X-ray emission spectroscopy and density functional theory","volume":"71","year":"2005","journal-title":"Phys. Rev. B"},{"key":"2025022010390338300_c33","doi-asserted-by":"publisher","first-page":"157401","DOI":"10.1103\/physrevlett.91.157401","article-title":"Molecular structure of alcohol-water mixtures","volume":"91","year":"2003","journal-title":"Phys. Rev. Lett."},{"key":"2025022010390338300_c34","doi-asserted-by":"publisher","first-page":"232","DOI":"10.1103\/physrev.30.232","article-title":"X-ray diffraction in liquids: Primary normal alcohols","volume":"30","year":"1927","journal-title":"Phys. Rev."},{"key":"2025022010390338300_c35","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1103\/physrev.31.1","article-title":"X-ray diffraction in liquids: A comparison of certain primary normal alcohols and their isomers","volume":"31","year":"1928","journal-title":"Phys. Rev."},{"key":"2025022010390338300_c36","doi-asserted-by":"publisher","first-page":"333","DOI":"10.1016\/s0022-2860(97)00152-x","article-title":"Infrared intensities of liquids XXI: Integrated absorption intensities of CH3OH, CH3OD, CD3OH and CD3OD and dipole moment derivatives of methanol","volume":"413\u2013414","year":"1997","journal-title":"J.\u00a0Mol. Struct."},{"key":"2025022010390338300_c37","doi-asserted-by":"publisher","first-page":"187","DOI":"10.1016\/j.jms.2007.09.012","article-title":"Hydrogen bonding in methanol studied by infrared spectroscopy","volume":"246","year":"2007","journal-title":"J.\u00a0Mol. Spectrosc."},{"key":"2025022010390338300_c38","doi-asserted-by":"publisher","first-page":"7308","DOI":"10.1021\/j100381a064","article-title":"Temperature and pressure dependence of hydrogen bonding in liquid methanol studied by nuclear magnetic resonance","volume":"94","year":"1990","journal-title":"J.\u00a0Phys. Chem."},{"key":"2025022010390338300_c39","volume-title":"The Nature of the Chemical Bond and the Structure of Molecules and Crystals: An Introduction to Modern Structural Chemistry","year":"1989","edition":"3"},{"key":"2025022010390338300_c40","doi-asserted-by":"publisher","first-page":"5165","DOI":"10.1063\/1.467181","article-title":"Structure in liquid methanol from spatial distribution functions","volume":"100","year":"1994","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c41","volume-title":"Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods","year":"2009"},{"key":"2025022010390338300_c42","doi-asserted-by":"publisher","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","article-title":"GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers","volume":"1\u20132","year":"2015","journal-title":"SoftwareX"},{"key":"2025022010390338300_c43","doi-asserted-by":"publisher","first-page":"11225","DOI":"10.1021\/ja9621760","article-title":"Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids","volume":"118","year":"1996","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2025022010390338300_c44","doi-asserted-by":"publisher","first-page":"1657","DOI":"10.1021\/ja00214a001","article-title":"The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin","volume":"110","year":"1988","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2025022010390338300_c45","volume-title":"NIST Chemistry WebBook","year":"1997"},{"key":"2025022010390338300_c46","volume-title":"International Thermodynamic Tables of the Fluid State. 12: Methanol","year":"1993","edition":"1"},{"key":"2025022010390338300_c47","doi-asserted-by":"publisher","first-page":"014101","DOI":"10.1063\/1.2408420","article-title":"Canonical sampling through velocity rescaling","volume":"126","year":"2007","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c48","doi-asserted-by":"publisher","first-page":"15","DOI":"10.1002\/wcms.1159","article-title":"CP2K: Atomistic simulations of condensed matter systems","volume":"4","year":"2014","journal-title":"WIREs Comput. Mol. Sci."},{"key":"2025022010390338300_c49","unstructured":"CP2K, Open source molecular dynamics, https:\/\/www.cp2k.org\/."},{"key":"2025022010390338300_c50","doi-asserted-by":"publisher","first-page":"194103","DOI":"10.1063\/5.0007045","article-title":"CP2K: An electronic structure and molecular dynamics software package\u2014Quickstep: Efficient and accurate electronic structure calculations","volume":"152","year":"2020","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c51","doi-asserted-by":"publisher","first-page":"7413","DOI":"10.1103\/physrevb.59.7413","article-title":"Improved adsorption energetics within density-functional theory using revised Perdew\u2013Burke\u2013Ernzerhof functionals","volume":"59","year":"1999","journal-title":"Phys. Rev. B"},{"key":"2025022010390338300_c52","doi-asserted-by":"publisher","first-page":"154104","DOI":"10.1063\/1.3382344","article-title":"A consistent and accurate ab\u00a0initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu","volume":"132","year":"2010","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c53","doi-asserted-by":"publisher","first-page":"114105","DOI":"10.1063\/1.2770708","article-title":"Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases","volume":"127","year":"2007","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c54","doi-asserted-by":"publisher","first-page":"3641","DOI":"10.1103\/physrevb.58.3641","article-title":"Relativistic separable dual-space Gaussian pseudopotentials from H to Rn","volume":"58","year":"1998","journal-title":"Phys. Rev. B"},{"key":"2025022010390338300_c55","doi-asserted-by":"publisher","first-page":"1703","DOI":"10.1103\/physrevb.54.1703","article-title":"Separable dual-space Gaussian pseudopotentials","volume":"54","year":"1996","journal-title":"Phys. Rev. B"},{"key":"2025022010390338300_c56","doi-asserted-by":"publisher","first-page":"2635","DOI":"10.1063\/1.463940","article-title":"Nos\u00e9\u2013Hoover chains: The canonical ensemble via continuous dynamics","volume":"97","year":"1992","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c57","volume-title":"Understanding Molecular Simulation: From Algorithms to Applications","year":"2002"},{"key":"2025022010390338300_c58","doi-asserted-by":"publisher","first-page":"14377","DOI":"10.1039\/c3cp51658j","article-title":"The X\u2013C\u22efY (X = O\/F, Y = O\/S\/F\/Cl\/Br\/N\/P) \u2018carbon bond\u2019 and hydrophobic interactions","volume":"15","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2025022010390338300_c59","doi-asserted-by":"publisher","first-page":"204107","DOI":"10.1063\/1.2742385","article-title":"Hydrogen bonding definitions and dynamics in liquid water","volume":"126","year":"2007","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c60","doi-asserted-by":"publisher","first-page":"1450","DOI":"10.1038\/ncomms2459","article-title":"Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water","volume":"4","year":"2013","journal-title":"Nat. Commun."},{"key":"2025022010390338300_c61","doi-asserted-by":"publisher","first-page":"16888","DOI":"10.1038\/s41598-018-35357-9","article-title":"On the hydrogen bond strength and vibrational spectroscopy of liquid water","volume":"8","year":"2018","journal-title":"Sci. Rep."},{"key":"2025022010390338300_c62","doi-asserted-by":"publisher","first-page":"24224","DOI":"10.1039\/c5cp03069b","article-title":"Water structure and solvation of osmolytes at high hydrostatic pressure: Pure water and TMAO solutions at 10 kbar versus 1 bar","volume":"17","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2025022010390338300_c63","doi-asserted-by":"publisher","first-page":"4546","DOI":"10.1063\/1.1543143","article-title":"Hydrogen bonding in liquid methanol, methylamine, and methanethiol studied by molecular-dynamics simulations","volume":"118","year":"2003","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c64","doi-asserted-by":"publisher","first-page":"15163","DOI":"10.1039\/c3cp52271g","article-title":"Hydrogen bond network topology in liquid water and methanol: A graph theory approach","volume":"15","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2025022010390338300_c65","doi-asserted-by":"publisher","first-page":"293","DOI":"10.1021\/jp907079s","article-title":"Hydrogen bond lifetimes and clustering of methanol in carbon tetrachloride solutions","volume":"114","year":"2010","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2025022010390338300_c66","doi-asserted-by":"publisher","first-page":"617","DOI":"10.1016\/s0009-2614(02)01779-7","article-title":"Ab initio molecular dynamics study of liquid methanol","volume":"367","year":"2003","journal-title":"Chem. Phys. Lett."},{"key":"2025022010390338300_c67","volume-title":"Computer Simulation of Liquids","year":"2017"},{"key":"2025022010390338300_c68","doi-asserted-by":"publisher","first-page":"6983","DOI":"10.1063\/1.465445","article-title":"Molecular dynamics simulation of a polymer chain in solution","volume":"99","year":"1993","journal-title":"J.\u00a0Chem. Phys."},{"key":"2025022010390338300_c69","doi-asserted-by":"publisher","first-page":"15873","DOI":"10.1021\/jp0477147","article-title":"System-size dependence of diffusion coefficients and viscosities from molecular dynamics simulations with periodic boundary conditions","volume":"108","year":"2004","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2025022010390338300_c70","doi-asserted-by":"publisher","first-page":"1597","DOI":"10.1063\/1.2360605","article-title":"A new reference correlation for the viscosity of methanol","volume":"35","year":"2006","journal-title":"J.\u00a0Phys. Chem. Ref. Data"},{"key":"2025022010390338300_c71","doi-asserted-by":"publisher","first-page":"997","DOI":"10.1039\/f29777300997","article-title":"Self-diffusion in water and monohydric alcohols","volume":"73","year":"1977","journal-title":"J.\u00a0Chem. Soc., Faraday Trans. 2"},{"key":"2025022010390338300_c72","doi-asserted-by":"publisher","first-page":"1083","DOI":"10.1351\/pac198557081083","article-title":"Insights into solute\u2013solute\u2013solvent interactions from transport property measurements with particular reference to methanol-water mixtures and their constituents","volume":"57","year":"1985","journal-title":"Pure Appl. Chem."},{"key":"2025022010390338300_c73","doi-asserted-by":"publisher","first-page":"2401","DOI":"10.1021\/je3000553","article-title":"Intradiffusion, density, and viscosity studies in binary liquid systems of acetylacetone + alkanols at 303.15 K","volume":"57","year":"2012","journal-title":"J.\u00a0Chem. Eng. Data"},{"key":"2025022010390338300_c74","doi-asserted-by":"publisher","first-page":"685","DOI":"10.1021\/j100624a025","article-title":"Self-diffusion in normal and heavy water in the range 1\u00b0\u201345\u00b0","volume":"77","year":"1973","journal-title":"J.\u00a0Phys. Chem."},{"key":"2025022010390338300_c75","doi-asserted-by":"publisher","first-page":"243","DOI":"10.1016\/s0022-2860(97)00038-0","article-title":"Hydrogen bonding in liquid alcohols: A computer simulation study","volume":"416","year":"1997","journal-title":"J.\u00a0Mol. Struct."}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0247191\/20403444\/074112_1_5.0247191.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0247191\/20403444\/074112_1_5.0247191.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,2,20]],"date-time":"2025-02-20T10:39:14Z","timestamp":1740047954000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/162\/7\/074112\/3336399\/On-the-complex-hydrogen-bond-network-structural"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,2,20]]},"references-count":75,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2025,2,21]]}},"URL":"https:\/\/doi.org\/10.1063\/5.0247191","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"value":"0021-9606","type":"print"},{"value":"1089-7690","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2025,2,21]]},"published":{"date-parts":[[2025,2,20]]},"article-number":"074112"}}