{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T06:57:35Z","timestamp":1777359455828,"version":"3.51.4"},"publisher-location":"Cham","reference-count":51,"publisher":"Springer Nature Switzerland","isbn-type":[{"value":"9783031976599","type":"print"},{"value":"9783031976605","type":"electronic"}],"license":[{"start":{"date-parts":[[2025,6,28]],"date-time":"2025-06-28T00:00:00Z","timestamp":1751068800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2025,6,28]],"date-time":"2025-06-28T00:00:00Z","timestamp":1751068800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026]]},"DOI":"10.1007\/978-3-031-97660-5_5","type":"book-chapter","created":{"date-parts":[[2025,7,6]],"date-time":"2025-07-06T08:22:12Z","timestamp":1751790132000},"page":"53-66","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Accurate Force Field for\u00a0Dimer Interactions: From Acetone to\u00a0Dimethylsulfoxide"],"prefix":"10.1007","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9754-6071","authenticated-orcid":false,"given":"Luca","family":"Mancini","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7875-2697","authenticated-orcid":false,"given":"Andrea","family":"Lombardi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3110-6521","authenticated-orcid":false,"given":"Fernando","family":"Pirani","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8854-3098","authenticated-orcid":false,"given":"Leonardo","family":"Pacifici","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1264-3877","authenticated-orcid":false,"given":"Marzio","family":"Rosi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4056-3364","authenticated-orcid":false,"given":"Noelia","family":"Faginas-Lago","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2025,6,28]]},"reference":[{"key":"5_CR1","doi-asserted-by":"publisher","first-page":"367","DOI":"10.1016\/S0926-860X(01)00810-9","volume":"221","author":"K Nagai","year":"2001","unstructured":"Nagai, K.: Appl. Catal., A: Gen. 221, 367 (2001)","journal-title":"Appl. Catal., A: Gen."},{"key":"5_CR2","unstructured":"Uglea, C.V., Negulescu, I.I.: Synthesis and Characterization of Oligomers. CRC Press (1991)"},{"key":"5_CR3","doi-asserted-by":"crossref","unstructured":"Asada, M., Fujimori, T., Fujii, K., Kanzaki, R., Umebayashi, Y., Ishiguro, S.I.: Solvation structure of magnesium, zinc, and alkaline earth metal ions in n, n-dimethylformamide, n, n-dimethylacetamide, and their mixtures studied by means of Raman spectroscopy and DFT calculations\u2013ionic size and electronic effects on steric congestion. J. Raman Spectrosc.: Int. J. Original Work Aspects Raman Spectrosc. Includ. High. Order Process. Brillouin Rayleigh Scatter. 38(4), 417\u2013426 (2007)","DOI":"10.1002\/jrs.1662"},{"issue":"36","key":"5_CR4","doi-asserted-by":"publisher","first-page":"16197","DOI":"10.1039\/c1cp21806a","volume":"13","author":"F Palombo","year":"2011","unstructured":"Palombo, F., Paolantoni, M., Sassi, P., Morresi, A., Giorgini, M.G.: Molecular dynamics of liquid acetone determined by depolarized Rayleigh and low-frequency Raman scattering spectroscopy. Phys. Chem. Chem. Phys. 13(36), 16197\u201316207 (2011)","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"16","key":"5_CR5","doi-asserted-by":"publisher","first-page":"3344","DOI":"10.1021\/jp037174y","volume":"108","author":"AK Mollner","year":"2004","unstructured":"Mollner, A.K., Brooksby, P.A., Loring, J.S., Bako, I., Palinkas, G., Fawcett, W.R.: Ion- solvent interactions in acetonitrile solutions of lithium iodide and tetrabutylammonium iodide. J. Phys. Chem. A 108(16), 3344\u20133349 (2004)","journal-title":"J. Phys. Chem. A"},{"issue":"26","key":"5_CR6","doi-asserted-by":"publisher","first-page":"8680","DOI":"10.1021\/jp1031724","volume":"114","author":"N Ferrando","year":"2010","unstructured":"Ferrando, N., Lachet, V., Boutin, A.: Monte Carlo simulations of mixtures involving ketones and aldehydes by a direct bubble pressure calculation. J. Phys. Chem. B 114(26), 8680\u20138688 (2010)","journal-title":"J. Phys. Chem. B"},{"key":"5_CR7","doi-asserted-by":"crossref","unstructured":"Stubbs, J.M., Potoff, J.J., Siepmann, J.I.: Transferable potentials for phase equilibria. 6. United-atom description for ethers, glycols, ketones, and aldehydes. J. Phys. Chem. B 108(45), 17596\u201317605 (2004)","DOI":"10.1021\/jp049459w"},{"issue":"42","key":"5_CR8","doi-asserted-by":"publisher","first-page":"6369","DOI":"10.1039\/b808466a","volume":"10","author":"G Hantal","year":"2008","unstructured":"Hantal, G., Jedlovszky, P., Hoang, P.N., Picaud, S.: Investigation of the adsorption behaviour of acetone at the surface of ice. A grand canonical Monte Carlo simulation study. Phys. Chem. Chem. Phys. 10(42), 6369\u20136380 (2008)","journal-title":"Phys. Chem. Chem. Phys."},{"key":"5_CR9","doi-asserted-by":"publisher","first-page":"226","DOI":"10.1016\/j.fluid.2013.08.015","volume":"358","author":"MH Ghatee","year":"2013","unstructured":"Ghatee, M.H., Taslimian, S.: Investigation of temperature and pressure dependent equilibrium and transport properties of liquid acetone by molecular dynamics simulation. Fluid Phase Equilib. 358, 226\u2013232 (2013)","journal-title":"Fluid Phase Equilib."},{"issue":"4\u20136","key":"5_CR10","doi-asserted-by":"publisher","first-page":"240","DOI":"10.1016\/j.cplett.2011.04.015","volume":"507","author":"RG Pereyra","year":"2011","unstructured":"Pereyra, R.G., Asar, M.L., Carignano, M.A.: The role of acetone dipole moment in acetone-water mixture. Chem. Phys. Lett. 507(4\u20136), 240\u2013243 (2011)","journal-title":"Chem. Phys. Lett."},{"issue":"4672","key":"5_CR11","doi-asserted-by":"publisher","first-page":"1394","DOI":"10.1038\/1831394a0","volume":"183","author":"JE Lovelock","year":"1959","unstructured":"Lovelock, J.E., Bishop, M.W.: Prevention of freezing damage to living cells by dimethyl sulphoxide. Nature 183(4672), 1394\u20131395 (1959)","journal-title":"Nature"},{"issue":"1","key":"5_CR12","doi-asserted-by":"publisher","first-page":"10699","DOI":"10.1038\/s41598-019-46932-z","volume":"9","author":"CT Wohnhaas","year":"2019","unstructured":"Wohnhaas, C.T., et al.: DMSO cryopreservation is the method of choice to preserve cells for droplet-based single-cell RNA sequencing. Sci. Rep. 9(1), 10699 (2019)","journal-title":"Sci. Rep."},{"issue":"1","key":"5_CR13","doi-asserted-by":"publisher","first-page":"123","DOI":"10.1093\/glycob\/cwr115","volume":"22","author":"JL Chaytor","year":"2012","unstructured":"Chaytor, J.L., et al.: Inhibiting ice recrystallization and optimization of cell viability after cryopreservation. Glycobiology 22(1), 123\u2013133 (2012)","journal-title":"Glycobiology"},{"issue":"2","key":"5_CR14","doi-asserted-by":"publisher","first-page":"103","DOI":"10.1006\/cryo.1999.2195","volume":"39","author":"J Wolfe","year":"1999","unstructured":"Wolfe, J., Bryant, G.: Freezing, drying, and\/or vitrification of membrane-solute-water systems. Cryobiology 39(2), 103\u2013129 (1999)","journal-title":"Cryobiology"},{"issue":"5","key":"5_CR15","doi-asserted-by":"publisher","first-page":"438","DOI":"10.1016\/S0140-7007(00)00027-X","volume":"24","author":"J Wolfe","year":"2001","unstructured":"Wolfe, J., Bryant, G.: Cellular cryobiology: thermodynamic and mechanical effects. Int. J. Refrig 24(5), 438\u2013450 (2001)","journal-title":"Int. J. Refrig"},{"issue":"1","key":"5_CR16","doi-asserted-by":"publisher","first-page":"14","DOI":"10.1016\/0011-2240(86)90014-3","volume":"23","author":"SW Jacob","year":"1986","unstructured":"Jacob, S.W., Herschler, R.: Pharmacology of DMSO. Cryobiology 23(1), 14\u201327 (1986)","journal-title":"Cryobiology"},{"issue":"1","key":"5_CR17","first-page":"3","volume":"30","author":"D Pope","year":"1966","unstructured":"Pope, D., Oliver, W.: Dimethyl sulfoxide (DMSO). Can. J. Comp. Med. Vet. Sci. 30(1), 3 (1966)","journal-title":"Can. J. Comp. Med. Vet. Sci."},{"key":"5_CR18","doi-asserted-by":"publisher","first-page":"118522","DOI":"10.1016\/j.molliq.2022.118522","volume":"350","author":"A Malloum","year":"2022","unstructured":"Malloum, A., Conradie, J.: Non-covalent interactions in dimethylsulfoxide (DMSO) clusters and DFT benchmarking. J. Mol. Liq. 350, 118522 (2022)","journal-title":"J. Mol. Liq."},{"issue":"36","key":"5_CR19","doi-asserted-by":"publisher","first-page":"5489","DOI":"10.1039\/b808524b","volume":"10","author":"F Pirani","year":"2008","unstructured":"Pirani, F., Brizi, S., Roncaratti, L.F., Casavecchia, P., Cappelletti, D., Vecchiocattivi, F.: Beyond the lennard-jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations. Phys. Chem. Chem. Phys. 10(36), 5489\u20135503 (2008)","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"1\u20132","key":"5_CR20","doi-asserted-by":"publisher","first-page":"165","DOI":"10.1080\/01442350600674033","volume":"25","author":"F Pirani","year":"2006","unstructured":"Pirani, F., Maciel, G.S., Cappelletti, D., Aquilanti, V.: Experimental benchmarks and phenomenology of interatomic forces: open-shell and electronic anisotropy effects. Int. Rev. Phys. Chem. 25(1\u20132), 165\u2013199 (2006)","journal-title":"Int. Rev. Phys. Chem."},{"issue":"1\u20133","key":"5_CR21","doi-asserted-by":"publisher","first-page":"37","DOI":"10.1016\/j.cplett.2004.06.100","volume":"394","author":"F Pirani","year":"2004","unstructured":"Pirani, F., Albert\u0131, M., Castro, A., Teixidor, M.M., Cappelletti, D.: Atom-bond pairwise additive representation for intermolecular potential energy surfaces. Chem. Phys. Lett. 394(1\u20133), 37\u201344 (2004)","journal-title":"Chem. Phys. Lett."},{"issue":"9","key":"5_CR22","doi-asserted-by":"publisher","first-page":"1571","DOI":"10.1021\/ar3000635","volume":"45","author":"D Cappelletti","year":"2012","unstructured":"Cappelletti, D., Ronca, E., Belpassi, L., Tarantelli, F., Pirani, F.: Revealing charge-transfer effects in gas-phase water chemistry. Acc. Chem. Res. 45(9), 1571\u20131580 (2012)","journal-title":"Acc. Chem. Res."},{"issue":"37","key":"5_CR23","doi-asserted-by":"publisher","first-page":"22437","DOI":"10.1039\/D2CP02458F","volume":"24","author":"V Richardson","year":"2022","unstructured":"Richardson, V., et al.: Fragmentation of interstellar methanol by collisions with $${He}^{+}$$: an experimental and computational study. Phys. Chem. Chem. Phys. 24(37), 22437\u201322452 (2022)","journal-title":"Phys. Chem. Chem. Phys."},{"key":"5_CR24","doi-asserted-by":"publisher","first-page":"A83","DOI":"10.1051\/0004-6361\/202451674","volume":"691","author":"L Mancini","year":"2024","unstructured":"Mancini, L., et al.: Destruction of interstellar methyl cyanide $${CH_{3}CN}$$ via collisions with $${He}^{+}$$ ions. Astron. Astrophys. 691, A83 (2024)","journal-title":"Astron. Astrophys."},{"issue":"28","key":"5_CR25","doi-asserted-by":"publisher","first-page":"16195","DOI":"10.1021\/acs.jpcc.8b04960","volume":"122","author":"YB Apriliyanto","year":"2018","unstructured":"Apriliyanto, Y.B., Faginas Lago, N., Lombardi, A., Evangelisti, S., Bartolomei, M., Leininger, T., Pirani, F.: Nanostructure selectivity for molecular adsorption and separation: the case of graphyne layers. J. Phys. Chem. C 122(28), 16195\u201316208 (2018)","journal-title":"J. Phys. Chem. C"},{"issue":"5","key":"5_CR26","doi-asserted-by":"publisher","first-page":"161","DOI":"10.1140\/epjd\/s10053-021-00176-7","volume":"75","author":"N Faginas-Lago","year":"2021","unstructured":"Faginas-Lago, N., Apriliyanto, Y.B., Lombardi, A.: Confinement of $${CO_2}$$ inside carbon nanotubes. Eur. Phys. J. D 75(5), 161 (2021)","journal-title":"Eur. Phys. J. D"},{"key":"5_CR27","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1007\/s00214-016-1914-9","volume":"135","author":"N Faginas Lago","year":"2016","unstructured":"Faginas Lago, N., Albert\u00ed, M., Lombardi, A., Pirani, F.: A force field for acetone: the transition from small clusters to liquid phase investigated by molecular dynamics simulations. Theoret. Chem. Acc. 135, 1\u20139 (2016)","journal-title":"Theoret. Chem. Acc."},{"key":"5_CR28","doi-asserted-by":"crossref","unstructured":"Mancini, L., Lombardi, A., Pirani, F., Pacifici, L., Rosi, M., Faginas-Lago, N.: A computational analysis of the DMSO-water interaction: toward the implementation of an accurate force field. In: International Conference on Computational Science and Its Applications, pp. 361\u2013374. Springer (2024)","DOI":"10.1007\/978-3-031-65329-2_24"},{"key":"5_CR29","doi-asserted-by":"publisher","unstructured":"Lombardi, A., Lagan\u00e0, A., Pirani, F., Palazzetti, F., Faginas-Lago, N.: Carbon oxides in gas flows and earth and planetary atmospheres: state-to-state simulations of energy transfer and dissociation reactions. In: LNCS, PART 2, vol. 7972, pp. 17\u201331 (2013). https:\/\/doi.org\/10.1007\/978-3-642-39643-4_2","DOI":"10.1007\/978-3-642-39643-4_2"},{"key":"5_CR30","series-title":"Lecture Notes in Computer Science","doi-asserted-by":"publisher","first-page":"246","DOI":"10.1007\/978-3-319-42085-1_19","volume-title":"Computational Science and Its Applications \u2013 ICCSA 2016","author":"A Lombardi","year":"2016","unstructured":"Lombardi, A., Faginas-Lago, N., Gaia, G., Federico, P., Aquilanti, V.: Collisional energy exchange in CO$$_2$$\u2013N$$_2$$ gaseous mixtures. In: Gervasi, O., et al. (eds.) ICCSA 2016. LNCS, vol. 9786, pp. 246\u2013257. Springer, Cham (2016). https:\/\/doi.org\/10.1007\/978-3-319-42085-1_19"},{"issue":"12","key":"5_CR31","doi-asserted-by":"publisher","first-page":"3094","DOI":"10.1021\/jp300156k","volume":"116","author":"M Albert\u00ed","year":"2012","unstructured":"Albert\u00ed, M., Faginas-Lago, N.: Ion size influence on the AR solvation shells of M$$^{+}$$C$$_{6}$$F$$_{6}$$ clusters (M = Na, K, Rb, Cs). J. Phys. Chem. A 116(12), 3094\u20133102 (2012). https:\/\/doi.org\/10.1021\/jp300156k","journal-title":"J. Phys. Chem. A"},{"issue":"5","key":"5_CR32","doi-asserted-by":"publisher","first-page":"385","DOI":"10.1080\/08927020290018769","volume":"28","author":"W Smith","year":"2002","unstructured":"Smith, W., Yong, C., Rodger, P.: Dl_poly: application to molecular simulation. Mol. Simul. 28(5), 385\u2013471 (2002)","journal-title":"Mol. Simul."},{"issue":"3","key":"5_CR33","doi-asserted-by":"publisher","first-page":"1695","DOI":"10.1103\/PhysRevA.31.1695","volume":"31","author":"WG Hoover","year":"1985","unstructured":"Hoover, W.G.: Canonical dynamics: equilibrium phase-space distributions. Phys. Rev. A 31(3), 1695 (1985)","journal-title":"Phys. Rev. A"},{"issue":"30","key":"5_CR34","doi-asserted-by":"publisher","first-page":"20194","DOI":"10.1039\/D3CP01558K","volume":"25","author":"G Pannacci","year":"2023","unstructured":"Pannacci, G., et al.: A combined crossed molecular beam and theorerical study of the O($$^3$$P, $$^1$$D) + acrylonitrile (CH$$_2$$CHCN) reactions and implications for combustion and extraterrestrial environments. Phys. Chem. Chem. Phys. 25(30), 20194\u201320211 (2023)","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"21","key":"5_CR35","doi-asserted-by":"publisher","first-page":"4609","DOI":"10.1021\/acs.jpca.2c08662","volume":"127","author":"P Liang","year":"2023","unstructured":"Liang, P., et al.: $${OH}$$ (2$$\\pi $$)+ $${C_2H_4}$$ reaction: a combined crossed molecular beam and theoretical study. J. Phys. Chem. A 127(21), 4609\u20134623 (2023)","journal-title":"J. Phys. Chem. A"},{"key":"5_CR36","doi-asserted-by":"crossref","unstructured":"Rosi, M., et al.: Electronic structure and kinetics calculations for the $${Si} + {SH}$$ reaction, a possible route of $${SiS}$$ formation in star-forming regions. In: Computational Science and Its Applications\u2013ICCSA 2019: 19th International Conference, Saint Petersburg, Russia, 1\u20134 July 2019, Proceedings, Part III 19, pp. 306\u2013315. Springer (2019)","DOI":"10.1007\/978-3-030-24302-9_22"},{"issue":"1\u20132","key":"5_CR37","doi-asserted-by":"publisher","first-page":"e1948126","DOI":"10.1080\/00268976.2021.1948126","volume":"120","author":"P Liang","year":"2022","unstructured":"Liang, P., et al.: Combined crossed molecular beams and computational study on the $${N} (^{2}D) + HCCCN ({X^{1}\\Sigma}^{+})$$ reaction and implications for extra-terrestrial environments. Mol. Phys. 120(1\u20132), e1948126 (2022)","journal-title":"Mol. Phys."},{"issue":"36","key":"5_CR38","doi-asserted-by":"publisher","first-page":"6110","DOI":"10.1021\/acs.jpca.2c04263","volume":"126","author":"G Vanuzzo","year":"2022","unstructured":"Vanuzzo, G., et al.: The $${N}$$$${(^2D)}$$ + $${CH_2CHCN}$$ (vinyl cyanide) reaction: a combined crossed molecular beam and theoretical study and implications for the atmosphere of titan. J. Phys. Chem. A 126(36), 6110\u20136123 (2022)","journal-title":"J. Phys. Chem. A"},{"issue":"10","key":"5_CR39","doi-asserted-by":"publisher","first-page":"2305","DOI":"10.1021\/acsearthspacechem.2c00183","volume":"6","author":"G Vanuzzo","year":"2022","unstructured":"Vanuzzo, G., et al.: Reaction $${N}$$$${(^2D)}$$ + $${CH_2CCH_2}$$ (allene): an experimental and theoretical investigation and implications for the photochemical models of titan. ACS Earth Space Chem. 6(10), 2305\u20132321 (2022)","journal-title":"ACS Earth Space Chem."},{"key":"5_CR40","doi-asserted-by":"publisher","first-page":"138852","DOI":"10.1016\/j.cplett.2021.138852","volume":"779","author":"P Recio","year":"2021","unstructured":"Recio, P., et al.: A crossed molecular beam investigation of the $${N}$$$${(^2D)}$$ + pyridine reaction and implications for prebiotic chemistry. Chem. Phys. Lett. 779, 138852 (2021)","journal-title":"Chem. Phys. Lett."},{"key":"5_CR41","unstructured":"Frisch, M., et al.: Fox: Gaussian 09, Revision A. 02, 2009. Gaussian. Inc., Wallingford (2009)"},{"key":"5_CR42","doi-asserted-by":"publisher","unstructured":"Becke, A.D.: Density functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98(7), 5648\u20135652 (1993). https:\/\/doi.org\/10.1063\/1.464913","DOI":"10.1063\/1.464913"},{"issue":"45","key":"5_CR43","doi-asserted-by":"publisher","first-page":"11623","DOI":"10.1021\/j100096a001","volume":"98","author":"PJ Stephens","year":"1994","unstructured":"Stephens, P.J., Devlin, F.J., Chabalowski, C.F., Frisch, M.J.: $${Ab}$$$${Initio}$$ calculation of vibrational absorption and circular dichroism spectra using density functional force fields. J. Phys. Chem. 98(45), 11623\u201311627 (1994). https:\/\/doi.org\/10.1021\/j100096a001","journal-title":"J. Phys. Chem."},{"issue":"7","key":"5_CR44","doi-asserted-by":"publisher","first-page":"1456","DOI":"10.1002\/jcc.21759","volume":"32","author":"S Grimme","year":"2011","unstructured":"Grimme, S., Ehrlich, S., Goerigk, L.: Effect of the damping function in dispersion corrected density functional theory. J. Comput. Chem. 32(7), 1456\u20131465 (2011)","journal-title":"J. Comput. Chem."},{"key":"5_CR45","doi-asserted-by":"crossref","unstructured":"Krishnan, R., Binkley, J.S., Seeger, R., Pople, J.A.: Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions. J. Chem. Phys. 72(1), 650\u2013654 (1980)","DOI":"10.1063\/1.438955"},{"key":"5_CR46","doi-asserted-by":"crossref","unstructured":"McLean, A., Chandler, G.: Contracted gaussian basis sets for molecular calculations. I. Second row atoms, z= 11\u201318. J. Chem. Phys. 72(10), 5639\u20135648 (1980)","DOI":"10.1063\/1.438980"},{"key":"5_CR47","doi-asserted-by":"publisher","unstructured":"Dunning\u00a0Jr., T.H.: Gaussian basis sets for use in correlated molecular calculations. I. the atoms boron through neon and hydrogen. J. Chem. Phys. 90(2), 1007\u20131023 (1989). https:\/\/doi.org\/10.1063\/1.456153","DOI":"10.1063\/1.456153"},{"key":"5_CR48","doi-asserted-by":"crossref","unstructured":"Nelson, R., Lide, D., Margott, A.: Selected values of electric dipole moments for molecules in the gas phase NSRDS-NBS10. Washington, DC (1967)","DOI":"10.6028\/NBS.NSRDS.10"},{"issue":"1","key":"5_CR49","doi-asserted-by":"publisher","first-page":"59","DOI":"10.1016\/S0301-0104(97)00145-6","volume":"223","author":"TN Olney","year":"1997","unstructured":"Olney, T.N., Cann, N., Cooper, G., Brion, C.: Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules. Chem. Phys. 223(1), 59\u201398 (1997)","journal-title":"Chem. Phys."},{"key":"5_CR50","unstructured":"Maitland, G., Rigby, M., Smith, E., Wakeham, W., Henderson, D.: Intermolecular forces: their origin and determination (1987)"},{"issue":"3","key":"5_CR51","doi-asserted-by":"publisher","first-page":"1852","DOI":"10.1063\/1.461035","volume":"95","author":"R Cambi","year":"1991","unstructured":"Cambi, R., Cappelletti, D., Liuti, G., Pirani, F.: Generalized correlations in terms of polarizability for van der Waals interaction potential parameter calculations. J. Chem. Phys. 95(3), 1852\u20131861 (1991)","journal-title":"J. Chem. Phys."}],"container-title":["Lecture Notes in Computer Science","Computational Science and Its Applications \u2013 ICCSA 2025 Workshops"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-031-97660-5_5","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T06:16:40Z","timestamp":1777357000000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/978-3-031-97660-5_5"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,6,28]]},"ISBN":["9783031976599","9783031976605"],"references-count":51,"URL":"https:\/\/doi.org\/10.1007\/978-3-031-97660-5_5","relation":{},"ISSN":["0302-9743","1611-3349"],"issn-type":[{"value":"0302-9743","type":"print"},{"value":"1611-3349","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,6,28]]},"assertion":[{"value":"28 June 2025","order":1,"name":"first_online","label":"First Online","group":{"name":"ChapterHistory","label":"Chapter History"}},{"value":"The authors have no competing interests to declare that are relevant to the content of this article.","order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Disclosure of Interests"}},{"value":"ICCSA","order":1,"name":"conference_acronym","label":"Conference Acronym","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"International Conference on Computational Science and Its Applications","order":2,"name":"conference_name","label":"Conference Name","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"Istanbul","order":3,"name":"conference_city","label":"Conference City","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"T\u00fcrkiye","order":4,"name":"conference_country","label":"Conference Country","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"2025","order":5,"name":"conference_year","label":"Conference Year","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"30 June 2025","order":7,"name":"conference_start_date","label":"Conference Start Date","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"3 July 2025","order":8,"name":"conference_end_date","label":"Conference End Date","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"25","order":9,"name":"conference_number","label":"Conference Number","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"iccsa2025","order":10,"name":"conference_id","label":"Conference ID","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"https:\/\/iccsa.org\/","order":11,"name":"conference_url","label":"Conference URL","group":{"name":"ConferenceInfo","label":"Conference Information"}}]}}